data_[La12Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7142]
_cell_length_b [14.4104]
_cell_length_c [10.6786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3PbS2]
_chemical_formula_sum '[La12 Pb4 S8]'
_cell_volume [725.4349]
_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
[
  La  La0  8  0.0000  0.3636  0.5600  1
  La  La1  4  0.0000  0.0889  0.7500  1
  Pb  Pb2  4  0.0000  0.2397  0.2500  1
  S  S3  4  0.0000  0.0000  0.0000  1
  S  S4  4  0.0000  0.4938  0.7500  1
]