data_Bi2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.22
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PtAu
_chemical_formula_sum   'Bi2 Pt1 Au1'
_cell_volume   93.67
_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  0.83  0.0  0.06  1.0
  Bi  Bi2  1  0.78  0.11  0.85  1.0
  Pt  Pt3  1  0.71  0.0  0.43  1.0
  Au  Au0  1  0.83  0.11  0.37  1.0

data_Bi2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.22
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PtAu
_chemical_formula_sum   'Bi2 Pt1 Au1'
_cell_volume   93.67
_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  0.78  0.11  0.85  1.0
  Bi  Bi1  1  0.83  0.0  0.06  1.0
  Pt  Pt2  1  0.71  0.0  0.43  1.0
  Au  Au3  1  0.83  0.11  0.37  1.0

Bi Bi Pt Au
Bi Bi Pt Au 0 1 o o - 2 3 o o o 