data_BiPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPbAu2
_chemical_formula_sum   'Bi1 Pb1 Au2'
_cell_volume   96.89
_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  Bi2  1  0.63  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.81  0.17  0.82  1.0
  Au  Au1  1  0.81  0.83  0.82  1.0

data_BiPbAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.64
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BiPbAu2
_chemical_formula_sum   'Bi1 Pb1 Au2'
_cell_volume   96.9
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.63  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0
  Au  Au2  2  0.82  0.17  0.81  1.0

Bi Pb Au Au