data_BPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPAu2
_chemical_formula_sum   'B1 P1 Au2'
_cell_volume   67.69
_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
  B  B2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.03  1.0
  Au  Au0  1  0.41  0.0  0.42  1.0
  Au  Au1  1  0.41  0.0  0.65  1.0

data_BPAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.3
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPAu2
_chemical_formula_sum   'B1 P1 Au2'
_cell_volume   67.69
_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
  B  B0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.03  1.0
  Au  Au2  1  0.0  0.41  0.42  1.0
  Au  Au3  1  0.0  0.41  0.65  1.0

B P Au Au