data_[Sb4Pb8Au4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9895]
_cell_length_b [18.5722]
_cell_length_c [13.2246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SbPb2AuSe5]
_chemical_formula_sum '[Sb4 Pb8 Au4 Se20]'
_cell_volume [979.8699]
_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
[
  Sb  Sb0  4  0.0000  0.2141  0.0226  1
  Pb  Pb1  4  0.0000  0.0989  0.6732  1
  Pb  Pb2  4  0.0000  0.1398  0.3182  1
  Au  Au3  4  0.0000  0.4716  0.4403  1
  Se  Se4  4  0.0000  0.0439  0.0539  1
  Se  Se5  4  0.0000  0.2746  0.6795  1
  Se  Se6  4  0.0000  0.2987  0.3742  1
  Se  Se7  4  0.0000  0.3586  0.0023  1
  Se  Se8  4  0.0000  0.4906  0.7599  1
]