data_[Li8In8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [7.8265]
_cell_length_b [7.8265]
_cell_length_c [12.4443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [137]
_chemical_formula_structural [LiInS2]
_chemical_formula_sum '[Li8 In8 S16]'
_cell_volume [762.2760]
_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  8  0.0000  0.2562  0.8780  1
  In  In1  8  0.0000  0.2487  0.6163  1
  S  S2  8  0.2386  0.2386  0.0000  1
  S  S3  4  0.0000  0.0000  0.2589  1
  S  S4  4  0.0000  0.5000  0.2394  1
]