data_[Bi10Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.0059]
_cell_length_b [9.0059]
_cell_length_c [18.5220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Bi5Au2]
_chemical_formula_sum '[Bi10 Au4]'
_cell_volume [1300.9899]
_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  6  0.2091  0.4230  0.5656  1
  Bi  Bi1  3  0.0000  0.3459  0.4179  1
  Bi  Bi2  1  0.0000  0.0000  0.6080  1
  Au  Au3  3  0.0000  0.6756  0.4319  1
  Au  Au4  1  0.0000  0.0000  0.4490  1
]