data_[Bi2Sb2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0326]
_cell_length_b [6.4247]
_cell_length_c [7.1492]
_cell_angle_alpha [85.8044]
_cell_angle_beta [65.5099]
_cell_angle_gamma [67.3409]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiSbAu3]
_chemical_formula_sum '[Bi2 Sb2 Au6]'
_cell_volume [231.4523]
_cell_formula_units_Z [2]
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
[
  Bi  Bi0  2  0.4036  0.4419  0.7999  1.0
  Sb  Sb1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  1  0.5000  0.0000  0.5000  1.0
  Au  Au3  2  0.0076  0.6248  0.2900  1.0
  Au  Au4  2  0.1071  0.8006  0.5921  1.0
  Au  Au5  2  0.4209  0.1782  0.1477  1.0
]