data_[Bi5Au9]
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 [P6mm]
_cell_length_a [7.8805]
_cell_length_b [7.8805]
_cell_length_c [20.5376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Bi5Au9]
_chemical_formula_sum '[Bi5 Au9]'
_cell_volume [1104.5533]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.6227  1
  Bi  Bi1  2  0.3333  0.6667  0.3530  1
  Au  Au2  6  0.2073  0.4145  0.5238  1
  Au  Au3  3  0.0000  0.5000  0.4276  1
]