data_B2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.75
_cell_angle_alpha   93.23
_cell_angle_beta   93.23
_cell_angle_gamma   35.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PAu
_chemical_formula_sum   'B2 P1 Au1'
_cell_volume   53.57
_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  B1  1  0.78  0.0  0.86  1.0
  B  B2  1  0.27  0.0  0.71  1.0
  P  P3  1  0.21  0.0  0.84  1.0
  Au  Au0  1  0.46  0.0  0.95  1.0

data_B2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.75
_cell_length_c   4.99
_cell_angle_alpha   93.23
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PAu
_chemical_formula_sum   'B2 P1 Au1'
_cell_volume   53.57
_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  0.71  0.27  1.0
  B  B1  1  0.0  0.86  0.78  1.0
  P  P2  1  0.0  0.84  0.21  1.0
  Au  Au3  1  0.0  0.95  0.46  1.0

B B P Au