data_BiIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrAu
_chemical_formula_sum   'Bi1 Ir1 Au1'
_cell_volume   62.04
_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  Bi1  1  0.29  0.32  0.33  1.0
  Ir  Ir2  1  0.0  0.0  0.25  1.0
  Au  Au0  1  1.0  0.64  0.27  1.0

data_BiIrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrAu
_chemical_formula_sum   'Bi1 Ir1 Au1'
_cell_volume   62.04
_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  1  0.33  0.29  0.32  1.0
  Ir  Ir1  1  0.25  0.0  0.0  1.0
  Au  Au2  1  0.27  1.0  0.64  1.0

Bi Ir Au
Bi Ir Au 0 1 o o o 1 2 - - o 