data_[Ge4As4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  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 [4.2869]
_cell_length_b [18.2112]
_cell_length_c [12.3499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GeAsPb2Se5]
_chemical_formula_sum '[Ge4 As4 Pb8 Se20]'
_cell_volume [964.1386]
_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  0.4418  0.4398  1.0
  As  As1  4  0.0000  0.2108  0.0295  1.0
  Pb  Pb2  4  0.0000  0.1192  0.3180  1.0
  Pb  Pb3  4  0.0000  0.1284  0.6862  1.0
  Se  Se4  4  0.0000  0.0363  0.0373  1.0
  Se  Se5  4  0.0000  0.2920  0.6644  1.0
  Se  Se6  4  0.0000  0.3150  0.3704  1.0
  Se  Se7  4  0.0000  0.3470  0.0094  1.0
  Se  Se8  4  0.0000  0.4926  0.7691  1.0
]