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 [4.4279]
_cell_length_b [18.4307]
_cell_length_c [12.7194]
_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 [1038.0120]
_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  0.4507  0.4250  1.0
  Bi  Bi1  4  0.0000  0.2006  0.0345  1.0
  Pb  Pb2  4  0.0000  0.1089  0.3398  1.0
  Pb  Pb3  4  0.0000  0.1324  0.6850  1.0
  Se  Se4  4  0.0000  0.0239  0.0098  1.0
  Se  Se5  4  0.0000  0.2939  0.6862  1.0
  Se  Se6  4  0.0000  0.3221  0.3675  1.0
  Se  Se7  4  0.0000  0.3513  0.0190  1.0
  Se  Se8  4  0.0000  0.4876  0.7571  1.0
]