data_CuBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.83
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBi2Au
_chemical_formula_sum   'Cu1 Bi2 Au1'
_cell_volume   91.2
_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
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.56  0.92  0.35  1.0
  Bi  Bi2  1  0.78  0.92  0.68  1.0
  Au  Au0  1  0.98  0.0  0.52  1.0

data_CuBi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.83
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBi2Au
_chemical_formula_sum   'Cu1 Bi2 Au1'
_cell_volume   91.2
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.56  0.92  0.35  1.0
  Bi  Bi2  1  0.78  0.92  0.68  1.0
  Au  Au3  1  0.98  0.0  0.52  1.0

Cu Bi Bi Au