data_[Li2In2Pb4S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.3911]
_cell_length_b [8.7868]
_cell_length_c [6.7840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiIn(PbS2)2]
_chemical_formula_sum '[Li2 In2 Pb4 S8]'
_cell_volume [394.8295]
_cell_formula_units_Z [2]
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  2  0.0000  0.7171  0.0000  1.0
  In  In1  2  0.0000  0.4781  0.5000  1.0
  Pb  Pb2  2  0.0000  0.1796  0.0000  1.0
  Pb  Pb3  2  0.0000  0.9384  0.5000  1.0
  S  S4  4  0.2187  0.6503  0.4575  1.0
  S  S5  4  0.2377  0.3860  0.9466  1.0
]