data_BiPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   141.11
_cell_angle_beta   134.36
_cell_angle_gamma   61.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPAu2
_chemical_formula_sum   'Bi1 P1 Au2'
_cell_volume   83.6
_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  0.0  0.0  0.93  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.91  0.0  0.25  1.0
  Au  Au1  1  0.0  0.22  0.68  1.0

data_BiPAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.45
_cell_length_c   5.73
_cell_angle_alpha   112.82
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPAu2
_chemical_formula_sum   'Bi1 P1 Au2'
_cell_volume   83.6
_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  0.0  0.93  0.93  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.25  0.34  1.0
  Au  Au3  1  0.78  0.46  0.46  1.0

Bi P Au Au