data_[Li7Ta24O64]
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 [8.9988]
_cell_length_b [7.7709]
_cell_length_c [16.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li7Ta24O64]
_chemical_formula_sum '[Li7 Ta24 O64]'
_cell_volume [1187.5035]
_cell_formula_units_Z [1]
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  0.0852  0.5000  0.5925  1
  Li  Li1  1  0.0888  0.5000  0.9080  1
  Li  Li2  1  0.3201  0.0000  0.7509  1
  Li  Li3  1  0.4744  0.5000  0.4934  1
  Li  Li4  1  0.6767  0.5000  0.2506  1
  Li  Li5  1  0.9110  0.0000  0.0918  1
  Li  Li6  1  0.9119  0.0000  0.4081  1
  Ta  Ta7  2  0.0520  0.2515  0.7502  1
  Ta  Ta8  2  0.1868  0.2485  0.4399  1
  Ta  Ta9  2  0.1890  0.2490  0.0611  1
  Ta  Ta10  2  0.3157  0.2520  0.2511  1
  Ta  Ta11  2  0.3933  0.2518  0.6301  1
  Ta  Ta12  2  0.3956  0.2527  0.8733  1
  Ta  Ta13  2  0.6042  0.2472  0.1268  1
  Ta  Ta14  2  0.6072  0.2442  0.3701  1
  Ta  Ta15  2  0.6847  0.2483  0.7496  1
  Ta  Ta16  2  0.8085  0.2509  0.5599  1
  Ta  Ta17  2  0.8112  0.2509  0.9391  1
  Ta  Ta18  2  0.9480  0.2488  0.2495  1
  O  O19  2  0.0001  0.2500  0.0001  1
  O  O20  2  0.1249  0.2734  0.1765  1
  O  O21  2  0.1254  0.2741  0.3252  1
  O  O22  2  0.1887  0.2911  0.6625  1
  O  O23  2  0.1895  0.2860  0.8371  1
  O  O24  2  0.3334  0.2175  0.9799  1
  O  O25  2  0.3367  0.2226  0.5208  1
  O  O26  2  0.3800  0.2537  0.1322  1
  O  O27  2  0.3816  0.2543  0.3694  1
  O  O28  2  0.4508  0.2617  0.7496  1
  O  O29  2  0.5499  0.2392  0.2508  1
  O  O30  2  0.6189  0.2444  0.6313  1
  O  O31  2  0.6203  0.2462  0.8682  1
  O  O32  2  0.6571  0.2934  0.4803  1
  O  O33  2  0.6667  0.2826  0.0204  1
  O  O34  2  0.8103  0.2132  0.1630  1
  O  O35  2  0.8137  0.2129  0.3389  1
  O  O36  2  0.8747  0.2265  0.6743  1
  O  O37  2  0.8752  0.2263  0.8237  1
  O  O38  2  0.9989  0.2529  0.4992  1
  O  O39  1  0.0190  0.5000  0.7503  1
  O  O40  1  0.0975  0.0000  0.7489  1
  O  O41  1  0.1448  0.0000  0.0739  1
  O  O42  1  0.1485  0.0000  0.4279  1
  O  O43  1  0.1835  0.5000  0.0457  1
  O  O44  1  0.1966  0.5000  0.4560  1
  O  O45  1  0.3036  0.0000  0.2508  1
  O  O46  1  0.3263  0.5000  0.2502  1
  O  O47  1  0.3826  0.0000  0.6430  1
  O  O48  1  0.3879  0.0000  0.8564  1
  O  O49  1  0.4118  0.5000  0.8867  1
  O  O50  1  0.4174  0.5000  0.6066  1
  O  O51  1  0.5881  0.0000  0.1136  1
  O  O52  1  0.5911  0.0000  0.3899  1
  O  O53  1  0.6095  0.5000  0.3582  1
  O  O54  1  0.6127  0.5000  0.1439  1
  O  O55  1  0.6734  0.0000  0.7498  1
  O  O56  1  0.6968  0.5000  0.7495  1
  O  O57  1  0.8121  0.0000  0.5410  1
  O  O58  1  0.8165  0.0000  0.9546  1
  O  O59  1  0.8510  0.5000  0.5727  1
  O  O60  1  0.8552  0.5000  0.9262  1
  O  O61  1  0.9016  0.5000  0.2506  1
  O  O62  1  0.9799  0.0000  0.2504  1
]