data_[Li8Ta24O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.9984]
_cell_length_b [7.7797]
_cell_length_c [16.9894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiTa3O8]
_chemical_formula_sum '[Li8 Ta24 O64]'
_cell_volume [1189.3068]
_cell_formula_units_Z [8]
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
[
  Li  Li0  1  0.0796  0.0000  0.9170  1
  Li  Li1  1  0.0831  0.0000  0.5916  1
  Li  Li2  1  0.3204  0.5000  0.7514  1
  Li  Li3  1  0.4717  0.0000  0.4944  1
  Li  Li4  1  0.5272  0.5000  0.5053  1
  Li  Li5  1  0.5326  0.5000  0.9949  1
  Li  Li6  1  0.6880  0.0000  0.2483  1
  Li  Li7  1  0.9176  0.5000  0.4050  1
  Ta  Ta8  2  0.0506  0.2484  0.7501  1
  Ta  Ta9  2  0.1899  0.2529  0.0599  1
  Ta  Ta10  2  0.1907  0.2514  0.4403  1
  Ta  Ta11  2  0.3132  0.2482  0.2511  1
  Ta  Ta12  2  0.3922  0.2457  0.6318  1
  Ta  Ta13  2  0.3949  0.2444  0.8717  1
  Ta  Ta14  2  0.6023  0.2516  0.1283  1
  Ta  Ta15  2  0.6082  0.2544  0.3680  1
  Ta  Ta16  2  0.6850  0.2517  0.7495  1
  Ta  Ta17  2  0.8094  0.2484  0.5593  1
  Ta  Ta18  2  0.8134  0.2500  0.9397  1
  Ta  Ta19  2  0.9492  0.2528  0.2493  1
  O  O20  2  0.0067  0.2493  0.9932  1
  O  O21  2  0.1222  0.2277  0.1752  1
  O  O22  2  0.1248  0.2234  0.3275  1
  O  O23  2  0.1861  0.2081  0.6612  1
  O  O24  2  0.1882  0.2138  0.8372  1
  O  O25  2  0.3447  0.2900  0.9805  1
  O  O26  2  0.3466  0.2905  0.5203  1
  O  O27  2  0.3788  0.2433  0.1337  1
  O  O28  2  0.3819  0.2434  0.3700  1
  O  O29  2  0.4487  0.2347  0.7493  1
  O  O30  2  0.5471  0.2678  0.2512  1
  O  O31  2  0.6172  0.2563  0.6310  1
  O  O32  2  0.6180  0.2528  0.8671  1
  O  O33  2  0.6532  0.2094  0.4801  1
  O  O34  2  0.6642  0.2234  0.0207  1
  O  O35  2  0.8004  0.2791  0.1696  1
  O  O36  2  0.8137  0.2902  0.3399  1
  O  O37  2  0.8752  0.2763  0.6732  1
  O  O38  2  0.8752  0.2746  0.8234  1
  O  O39  2  0.9997  0.2497  0.5002  1
  O  O40  1  0.0175  0.0000  0.7489  1
  O  O41  1  0.0989  0.5000  0.7485  1
  O  O42  1  0.1551  0.5000  0.4286  1
  O  O43  1  0.1684  0.5000  0.0716  1
  O  O44  1  0.1931  0.0000  0.0440  1
  O  O45  1  0.2062  0.0000  0.4619  1
  O  O46  1  0.3015  0.5000  0.2525  1
  O  O47  1  0.3280  0.0000  0.2518  1
  O  O48  1  0.3849  0.5000  0.6445  1
  O  O49  1  0.3908  0.5000  0.8561  1
  O  O50  1  0.4089  0.0000  0.8885  1
  O  O51  1  0.4139  0.0000  0.6054  1
  O  O52  1  0.5787  0.5000  0.1072  1
  O  O53  1  0.5860  0.5000  0.3949  1
  O  O54  1  0.6094  0.0000  0.1442  1
  O  O55  1  0.6147  0.0000  0.3549  1
  O  O56  1  0.6704  0.5000  0.7489  1
  O  O57  1  0.6964  0.0000  0.7481  1
  O  O58  1  0.7928  0.5000  0.9491  1
  O  O59  1  0.7932  0.5000  0.5395  1
  O  O60  1  0.8416  0.0000  0.9257  1
  O  O61  1  0.8448  0.0000  0.5724  1
  O  O62  1  0.9070  0.0000  0.2532  1
  O  O63  1  0.9816  0.5000  0.2546  1
]