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 [Cm]
_cell_length_a [9.2463]
_cell_length_b [8.0854]
_cell_length_c [6.4086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ge(PbS2)2]
_chemical_formula_sum '[Ge2 Pb4 S8]'
_cell_volume [417.4715]
_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  0.0334  0.0000  0.0043  1
  Pb  Pb1  4  0.4112  0.2379  0.4903  1
  S  S2  4  0.1479  0.2361  0.9919  1
  S  S3  2  0.0637  0.0000  0.3804  1
  S  S4  2  0.2847  0.5000  0.6506  1
]