data_[Ta22O55]
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 [Pm]
_cell_length_a [6.3380]
_cell_length_b [3.8437]
_cell_length_c [40.9516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2O5]
_chemical_formula_sum '[Ta22 O55]'
_cell_volume [997.5354]
_cell_formula_units_Z [11]
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  0.0068  0.0000  0.9988  1
  Ta  Ta1  1  0.0494  0.0000  0.1804  1
  Ta  Ta2  1  0.0686  0.0000  0.7289  1
  Ta  Ta3  1  0.0708  0.0000  0.9117  1
  Ta  Ta4  1  0.0810  0.0000  0.8199  1
  Ta  Ta5  1  0.0844  0.0000  0.2725  1
  Ta  Ta6  1  0.0905  0.0000  0.4547  1
  Ta  Ta7  1  0.1180  0.0000  0.5462  1
  Ta  Ta8  1  0.1382  0.0000  0.0824  1
  Ta  Ta9  1  0.1669  0.0000  0.6336  1
  Ta  Ta10  1  0.1729  0.0000  0.3586  1
  Ta  Ta11  1  0.4879  0.0000  0.1429  1
  Ta  Ta12  1  0.5151  0.0000  0.6913  1
  Ta  Ta13  1  0.5337  0.0000  0.4169  1
  Ta  Ta14  1  0.5388  0.0000  0.8624  1
  Ta  Ta15  1  0.5456  0.0000  0.9533  1
  Ta  Ta16  1  0.5780  0.0000  0.0460  1
  Ta  Ta17  1  0.6116  0.0000  0.2265  1
  Ta  Ta18  1  0.6168  0.0000  0.3188  1
  Ta  Ta19  1  0.6200  0.0000  0.5922  1
  Ta  Ta20  1  0.6251  0.0000  0.7766  1
  Ta  Ta21  1  0.6512  0.0000  0.5011  1
  O  O22  1  0.0035  0.0000  0.5001  1
  O  O23  1  0.0611  0.5000  0.2799  1
  O  O24  1  0.0713  0.5000  0.1800  1
  O  O25  1  0.0760  0.5000  0.8173  1
  O  O26  1  0.0811  0.5000  0.7253  1
  O  O27  1  0.0916  0.5000  0.5524  1
  O  O28  1  0.0941  0.5000  0.0885  1
  O  O29  1  0.0980  0.5000  0.4510  1
  O  O30  1  0.0981  0.5000  0.9174  1
  O  O31  1  0.1336  0.5000  0.6381  1
  O  O32  1  0.1366  0.5000  0.3644  1
  O  O33  1  0.1675  0.0000  0.1338  1
  O  O34  1  0.1820  0.0000  0.8646  1
  O  O35  1  0.1994  0.0000  0.6830  1
  O  O36  1  0.2180  0.0000  0.4086  1
  O  O37  1  0.2568  0.0000  0.0370  1
  O  O38  1  0.2599  0.0000  0.9706  1
  O  O39  1  0.2830  0.0000  0.3142  1
  O  O40  1  0.2843  0.0000  0.5892  1
  O  O41  1  0.3501  0.0000  0.2506  1
  O  O42  1  0.3761  0.0000  0.1880  1
  O  O43  1  0.3862  0.0000  0.8072  1
  O  O44  1  0.3921  0.0000  0.5262  1
  O  O45  1  0.3924  0.0000  0.7389  1
  O  O46  1  0.4125  0.0000  0.4629  1
  O  O47  1  0.4140  0.0000  0.9094  1
  O  O48  1  0.4548  0.0000  0.0926  1
  O  O49  1  0.4940  0.0000  0.6407  1
  O  O50  1  0.5004  0.0000  0.3662  1
  O  O51  1  0.5076  0.5000  0.8578  1
  O  O52  1  0.5339  0.5000  0.1376  1
  O  O53  1  0.5539  0.5000  0.6868  1
  O  O54  1  0.5680  0.5000  0.0497  1
  O  O55  1  0.5742  0.5000  0.9507  1
  O  O56  1  0.5795  0.5000  0.4118  1
  O  O57  1  0.5894  0.5000  0.5864  1
  O  O58  1  0.5894  0.5000  0.3145  1
  O  O59  1  0.6375  0.5000  0.2209  1
  O  O60  1  0.6448  0.5000  0.7709  1
  O  O61  1  0.6622  0.0000  0.0008  1
  O  O62  1  0.6778  0.5000  0.4958  1
  O  O63  1  0.7395  0.0000  0.2733  1
  O  O64  1  0.7503  0.0000  0.1705  1
  O  O65  1  0.7568  0.0000  0.8242  1
  O  O66  1  0.7699  0.0000  0.7184  1
  O  O67  1  0.7772  0.0000  0.5482  1
  O  O68  1  0.7855  0.0000  0.4464  1
  O  O69  1  0.7998  0.0000  0.8886  1
  O  O70  1  0.8808  0.0000  0.6146  1
  O  O71  1  0.8814  0.0000  0.9530  1
  O  O72  1  0.8826  0.0000  0.0544  1
  O  O73  1  0.8940  0.0000  0.3370  1
  O  O74  1  0.9635  0.0000  0.2264  1
  O  O75  1  0.9639  0.0000  0.7732  1
  O  O76  1  0.9945  0.5000  0.0052  1
]