data_[Li4Sb8Pb4S16]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.8658]
_cell_length_b [10.9338]
_cell_length_c [7.7980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiSb2PbS4]
_chemical_formula_sum '[Li4 Sb8 Pb4 S16]'
_cell_volume [755.9121]
_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  0.0000  0.0000  0.5211  1
  Sb  Sb1  8  0.2500  0.2500  0.2937  1
  Pb  Pb2  4  0.0000  0.0000  0.0457  1
  S  S3  8  0.0000  0.2311  0.6096  1
  S  S4  8  0.2224  0.0000  0.3134  1
]