data_[Ge4Bi4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2688]
_cell_length_b [17.6535]
_cell_length_c [12.2144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GeBiPb2S5]
_chemical_formula_sum '[Ge4 Bi4 Pb8 S20]'
_cell_volume [920.4709]
_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
[
  Ge  Ge0  4  0.0000  0.4539  0.4284  1.0
  Bi  Bi1  4  0.0000  0.2009  0.0342  1.0
  Pb  Pb2  4  0.0000  0.1141  0.3369  1.0
  Pb  Pb3  4  0.0000  0.1278  0.6835  1.0
  S  S4  4  0.0000  0.0246  0.0067  1.0
  S  S5  4  0.0000  0.2909  0.6833  1.0
  S  S6  4  0.0000  0.3275  0.3696  1.0
  S  S7  4  0.0000  0.3503  0.0173  1.0
  S  S8  4  0.0000  0.4863  0.7640  1.0
]