data_[Ta30O75]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.7399]
_cell_length_b [12.0355]
_cell_length_c [12.5412]
_cell_angle_alpha [89.7542]
_cell_angle_beta [86.1057]
_cell_angle_gamma [89.8966]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta2O5]
_chemical_formula_sum '[Ta30 O75]'
_cell_volume [1767.9211]
_cell_formula_units_Z [15]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ta  Ta0  1  0.0152  0.0894  0.6918  1
  Ta  Ta1  1  0.0397  0.7862  0.7577  1
  Ta  Ta2  1  0.0610  0.4360  0.1388  1
  Ta  Ta3  1  0.0852  0.4836  0.6382  1
  Ta  Ta4  1  0.0919  0.9398  0.0910  1
  Ta  Ta5  1  0.1514  0.2514  0.4564  1
  Ta  Ta6  1  0.2186  0.1468  0.9033  1
  Ta  Ta7  1  0.2324  0.9101  0.5218  1
  Ta  Ta8  1  0.2707  0.5031  0.2927  1
  Ta  Ta9  1  0.2735  0.6083  0.8310  1
  Ta  Ta10  1  0.2913  0.0689  0.2637  1
  Ta  Ta11  1  0.3047  0.1553  0.6636  1
  Ta  Ta12  1  0.3170  0.6724  0.5342  1
  Ta  Ta13  1  0.3420  0.3852  0.0367  1
  Ta  Ta14  1  0.4716  0.2274  0.3976  1
  Ta  Ta15  1  0.5161  0.6130  0.7090  1
  Ta  Ta16  1  0.5683  0.9384  0.3017  1
  Ta  Ta17  1  0.5807  0.3071  0.6607  1
  Ta  Ta18  1  0.6299  0.0869  0.8159  1
  Ta  Ta19  1  0.6453  0.2915  0.9692  1
  Ta  Ta20  1  0.6493  0.7476  0.5167  1
  Ta  Ta21  1  0.6506  0.4176  0.2466  1
  Ta  Ta22  1  0.6860  0.6665  0.2258  1
  Ta  Ta23  1  0.7161  0.8584  0.7574  1
  Ta  Ta24  1  0.7913  0.5254  0.6129  1
  Ta  Ta25  1  0.8627  0.7819  0.9903  1
  Ta  Ta26  1  0.8698  0.9992  0.3101  1
  Ta  Ta27  1  0.8847  0.2475  0.3322  1
  Ta  Ta28  1  0.9585  0.7743  0.4975  1
  Ta  Ta29  1  0.9629  0.3213  0.8845  1
  O  O30  1  0.0045  0.9493  0.2293  1
  O  O31  1  0.0240  0.6925  0.6416  1
  O  O32  1  0.0322  0.6932  0.4009  1
  O  O33  1  0.0652  0.9450  0.7461  1
  O  O34  1  0.0708  0.8917  0.5275  1
  O  O35  1  0.0892  0.2439  0.9429  1
  O  O36  1  0.1352  0.1327  0.5727  1
  O  O37  1  0.1401  0.5506  0.2190  1
  O  O38  1  0.1492  0.0154  0.9521  1
  O  O39  1  0.1507  0.3531  0.5885  1
  O  O40  1  0.1529  0.8072  0.0899  1
  O  O41  1  0.1659  0.1670  0.3318  1
  O  O42  1  0.1670  0.5204  0.7656  1
  O  O43  1  0.1702  0.1885  0.7578  1
  O  O44  1  0.1843  0.7368  0.8335  1
  O  O45  1  0.1872  0.3469  0.1204  1
  O  O46  1  0.1899  0.5725  0.5466  1
  O  O47  1  0.2142  0.0386  0.1424  1
  O  O48  1  0.2242  0.3820  0.3745  1
  O  O49  1  0.2348  0.7822  0.6247  1
  O  O50  1  0.2478  0.9872  0.3887  1
  O  O51  1  0.2810  0.4967  0.9531  1
  O  O52  1  0.3166  0.7985  0.4393  1
  O  O53  1  0.3184  0.2367  0.9835  1
  O  O54  1  0.3226  0.0071  0.6042  1
  O  O55  1  0.3317  0.2101  0.4915  1
  O  O56  1  0.3449  0.0953  0.8026  1
  O  O57  1  0.3458  0.5931  0.3869  1
  O  O58  1  0.3497  0.6005  0.6808  1
  O  O59  1  0.3669  0.4558  0.1742  1
  O  O60  1  0.3846  0.1974  0.2668  1
  O  O61  1  0.4105  0.2694  0.6835  1
  O  O62  1  0.4280  0.9726  0.2407  1
  O  O63  1  0.4348  0.6377  0.8487  1
  O  O64  1  0.4836  0.7115  0.5722  1
  O  O65  1  0.4993  0.3751  0.9928  1
  O  O66  1  0.5146  0.3687  0.3269  1
  O  O67  1  0.5308  0.4578  0.7169  1
  O  O68  1  0.5512  0.0946  0.3713  1
  O  O69  1  0.5526  0.2810  0.5147  1
  O  O70  1  0.5660  0.8651  0.4320  1
  O  O71  1  0.5675  0.9460  0.8048  1
  O  O72  1  0.5749  0.5603  0.1974  1
  O  O73  1  0.5985  0.8033  0.2167  1
  O  O74  1  0.6121  0.1465  0.6772  1
  O  O75  1  0.6220  0.1373  0.9719  1
  O  O76  1  0.6243  0.2848  0.8198  1
  O  O77  1  0.6265  0.7230  0.7504  1
  O  O78  1  0.6381  0.5886  0.5759  1
  O  O79  1  0.6663  0.3396  0.1196  1
  O  O80  1  0.6903  0.6983  0.3747  1
  O  O81  1  0.6953  0.8688  0.6044  1
  O  O82  1  0.7238  0.3775  0.6129  1
  O  O83  1  0.7257  0.9793  0.2547  1
  O  O84  1  0.7394  0.8192  0.9158  1
  O  O85  1  0.7404  0.3150  0.3328  1
  O  O86  1  0.7683  0.5262  0.2639  1
  O  O87  1  0.7700  0.0201  0.7965  1
  O  O88  1  0.7925  0.5523  0.7499  1
  O  O89  1  0.8050  0.6989  0.1125  1
  O  O90  1  0.8060  0.3181  0.9423  1
  O  O91  1  0.8155  0.6883  0.5421  1
  O  O92  1  0.8527  0.1126  0.4159  1
  O  O93  1  0.8729  0.8764  0.4097  1
  O  O94  1  0.8766  0.8250  0.7350  1
  O  O95  1  0.9009  0.1452  0.2208  1
  O  O96  1  0.9022  0.0609  0.6136  1
  O  O97  1  0.9386  0.9097  0.0271  1
  O  O98  1  0.9444  0.1891  0.7971  1
  O  O99  1  0.9487  0.4917  0.5640  1
  O  O100  1  0.9641  0.3620  0.2355  1
  O  O101  1  0.9677  0.7168  0.8891  1
  O  O102  1  0.9904  0.4103  0.7665  1
  O  O103  1  0.9974  0.2849  0.4374  1
  O  O104  1  0.9978  0.4388  0.0053  1
]