data_[Li4P12W8O52]
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 [P2_1/c]
_cell_length_a [6.4869]
_cell_length_b [22.6367]
_cell_length_c [8.8318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiP3W2O13]
_chemical_formula_sum '[Li4 P12 W8 O52]'
_cell_volume [1031.8919]
_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  0.0247  0.1504  0.2899  1
  P  P1  4  0.0198  0.5994  0.8008  1
  P  P2  4  0.3571  0.7042  0.5802  1
  P  P3  4  0.4638  0.0840  0.3461  1
  W  W4  4  0.2549  0.2080  0.0424  1
  W  W5  4  0.4446  0.5648  0.7219  1
  O  O6  4  0.0572  0.7056  0.4456  1
  O  O7  4  0.0611  0.1604  0.7924  1
  O  O8  4  0.1326  0.5593  0.7281  1
  O  O9  4  0.1624  0.2210  0.4415  1
  O  O10  4  0.1890  0.0661  0.7049  1
  O  O11  4  0.2461  0.6123  0.0225  1
  O  O12  4  0.2621  0.5636  0.4744  1
  O  O13  4  0.3124  0.1249  0.1740  1
  O  O14  4  0.3540  0.0846  0.4588  1
  O  O15  4  0.4184  0.6920  0.4374  1
  O  O16  4  0.4547  0.6553  0.7303  1
  O  O17  4  0.4852  0.7373  0.1828  1
  O  O18  4  0.4964  0.0230  0.2899  1
]