data_[Ge2Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8673]
_cell_length_b [6.6695]
_cell_length_c [8.4176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ge(PbS2)2]
_chemical_formula_sum '[Ge2 Pb4 S8]'
_cell_volume [367.3720]
_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
[
  Ge  Ge0  2  0.2815  0.2500  0.2070  1.0
  Pb  Pb1  2  0.2419  0.7500  0.9402  1.0
  Pb  Pb2  2  0.2662  0.7500  0.4431  1.0
  S  S3  4  0.4999  0.0066  0.7277  1.0
  S  S4  2  0.0736  0.2500  0.3650  1.0
  S  S5  2  0.1073  0.2500  0.9364  1.0
]