data_[Ge4Bi4Pb8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4133]
_cell_length_b [18.4302]
_cell_length_c [12.6949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GeBiPb2Se5]
_chemical_formula_sum '[Ge4 Bi4 Pb8 Se20]'
_cell_volume [1032.5839]
_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  0.4505  0.4246  1
  Bi  Bi1  4  0.0000  0.2007  0.0348  1
  Pb  Pb2  4  0.0000  0.1093  0.3397  1
  Pb  Pb3  4  0.0000  0.1326  0.6850  1
  Se  Se4  4  0.0000  0.0240  0.0100  1
  Se  Se5  4  0.0000  0.2939  0.6862  1
  Se  Se6  4  0.0000  0.3223  0.3674  1
  Se  Se7  4  0.0000  0.3512  0.0189  1
  Se  Se8  4  0.0000  0.4877  0.7573  1
]