data_ReBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   3.1
_cell_angle_alpha   94.44
_cell_angle_beta   94.44
_cell_angle_gamma   115.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBP2
_chemical_formula_sum   'Re1 B1 P2'
_cell_volume   49.16
_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
  Re  Re3  1  0.26  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.91  0.23  0.54  1.0
  P  P2  1  0.91  0.77  0.54  1.0

data_ReBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   115.01
_cell_angle_beta   94.44
_cell_angle_gamma   94.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBP2
_chemical_formula_sum   'Re1 B1 P2'
_cell_volume   49.16
_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
  Re  Re0  1  0.0  0.26  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.54  0.91  0.23  1.0
  P  P3  1  0.54  0.91  0.77  1.0

Re B P P