data_[Li12P20W16O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [17.1520]
_cell_length_b [8.5731]
_cell_length_c [15.3196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li3P5(WO6)4]
_chemical_formula_sum '[Li12 P20 W16 O96]'
_cell_volume [1986.0432]
_cell_formula_units_Z [4]
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  4  0.1773  0.0166  0.7185  1
  Li  Li1  4  0.3215  0.4851  0.2786  1
  Li  Li2  4  0.4567  0.0138  0.9693  1
  P  P3  4  0.0082  0.1768  0.8934  1
  P  P4  4  0.2427  0.4920  0.5421  1
  P  P5  4  0.2570  0.0073  0.4550  1
  P  P6  4  0.4901  0.6759  0.6028  1
  P  P7  4  0.4997  0.1046  0.7501  1
  W  W8  4  0.0996  0.1938  0.4788  1
  W  W9  4  0.1629  0.3190  0.8196  1
  W  W10  4  0.3362  0.1853  0.1782  1
  W  W11  4  0.4010  0.3073  0.5193  1
  O  O12  4  0.0018  0.2673  0.5202  1
  O  O13  4  0.0173  0.2905  0.3398  1
  O  O14  4  0.0250  0.0040  0.9221  1
  O  O15  4  0.0765  0.1835  0.7030  1
  O  O16  4  0.0826  0.4913  0.2709  1
  O  O17  4  0.0845  0.2517  0.8849  1
  O  O18  4  0.1529  0.4152  0.5163  1
  O  O19  4  0.1635  0.1160  0.5979  1
  O  O20  4  0.1869  0.1376  0.4266  1
  O  O21  4  0.2285  0.1026  0.8644  1
  O  O22  4  0.2323  0.3707  0.7682  1
  O  O23  4  0.2382  0.4121  0.9553  1
  O  O24  4  0.2633  0.0838  0.0438  1
  O  O25  4  0.2684  0.1269  0.2305  1
  O  O26  4  0.2689  0.3978  0.1325  1
  O  O27  4  0.3161  0.3666  0.5732  1
  O  O28  4  0.3352  0.3857  0.4005  1
  O  O29  4  0.3485  0.0791  0.4770  1
  O  O30  4  0.4125  0.7497  0.6093  1
  O  O31  4  0.4216  0.9981  0.7345  1
  O  O32  4  0.4217  0.3248  0.2920  1
  O  O33  4  0.4771  0.4996  0.0795  1
  O  O34  4  0.4771  0.2035  0.6570  1
  O  O35  4  0.4915  0.7735  0.9706  1
]