data_BiP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   4.32
_cell_angle_alpha   90.79
_cell_angle_beta   90.79
_cell_angle_gamma   36.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiP2Au
_chemical_formula_sum   'Bi1 P2 Au1'
_cell_volume   97.73
_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  0.41  0.0  0.16  1.0
  P  P2  1  0.65  0.0  0.04  1.0
  P  P3  1  0.3  0.0  0.13  1.0
  Au  Au0  1  0.05  0.0  0.15  1.0

data_BiP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.32
_cell_length_c   6.15
_cell_angle_alpha   90.79
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiP2Au
_chemical_formula_sum   'Bi1 P2 Au1'
_cell_volume   97.73
_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  0.16  0.41  1.0
  P  P1  1  0.0  0.04  0.65  1.0
  P  P2  1  0.0  0.13  0.3  1.0
  Au  Au3  1  0.0  0.15  0.05  1.0

Bi P P Au
Bi P P Au 0 2 o o o 0 1 o o o 2 3 o o o 