data_[Li12Sb12P32O116]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8424]
_cell_length_b [9.8541]
_cell_length_c [14.4930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3Sb3P8O29]
_chemical_formula_sum '[Li12 Sb12 P32 O116]'
_cell_volume [2405.1328]
_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  8  0.1157  0.2182  0.0494  1
  Li  Li1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  8  0.2191  0.2166  0.2584  1
  Sb  Sb3  4  0.0000  0.4410  0.7500  1
  P  P4  8  0.0401  0.2596  0.3442  1
  P  P5  8  0.1120  0.1987  0.8424  1
  P  P6  8  0.1468  0.0649  0.6599  1
  P  P7  8  0.1655  0.4932  0.1322  1
  O  O8  8  0.0039  0.2020  0.0768  1
  O  O9  8  0.0399  0.4180  0.3386  1
  O  O10  8  0.0413  0.2994  0.8342  1
  O  O11  8  0.0919  0.0870  0.5816  1
  O  O12  8  0.0989  0.4201  0.6792  1
  O  O13  8  0.1050  0.0947  0.7576  1
  O  O14  8  0.1080  0.1239  0.9312  1
  O  O15  8  0.1278  0.2098  0.3443  1
  O  O16  8  0.1588  0.3468  0.1787  1
  O  O17  8  0.1605  0.4795  0.0309  1
  O  O18  8  0.1688  0.0903  0.1656  1
  O  O19  8  0.1908  0.2803  0.8298  1
  O  O20  8  0.2268  0.1479  0.6596  1
  O  O21  8  0.2455  0.4441  0.6710  1
  O  O22  4  0.0000  0.2041  0.2500  1
]