data_ReBP7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   11.0
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   91.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBP7
_chemical_formula_sum   'Re2 B2 P14'
_cell_volume   300.68
_cell_formula_units_Z   2
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  Re16  1  0.79  0.25  0.43  1.0
  Re  Re17  1  0.75  0.75  0.34  1.0
  B  B0  1  0.0  0.5  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.18  0.25  0.57  1.0
  P  P3  1  0.37  0.75  0.2  1.0
  P  P4  1  0.38  0.54  0.02  1.0
  P  P5  1  0.17  0.04  0.75  1.0
  P  P6  1  0.17  0.46  0.75  1.0
  P  P7  1  0.38  0.96  0.02  1.0
  P  P8  1  0.85  0.66  0.43  1.0
  P  P9  1  0.7  0.16  0.34  1.0
  P  P10  1  0.7  0.34  0.34  1.0
  P  P11  1  0.85  0.83  0.43  1.0
  P  P12  1  0.7  0.25  0.77  1.0
  P  P13  1  0.85  0.75  1.0  1.0
  P  P14  1  0.26  0.25  0.69  1.0
  P  P15  1  0.28  0.75  0.09  1.0

data_ReBP7
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.74
_cell_length_b   11.0
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   91.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ReBP7
_chemical_formula_sum   'Re2 B2 P14'
_cell_volume   300.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.75  0.5  0.34  1.0
  Re  Re1  1  0.79  0.0  0.43  1.0
  B  B2  2  0.0  0.25  0.0  1.0
  P  P3  2  0.17  0.21  0.75  1.0
  P  P4  2  0.38  0.29  0.02  1.0
  P  P5  2  0.7  0.09  0.34  1.0
  P  P6  2  0.85  0.41  0.43  1.0
  P  P7  1  0.18  0.0  0.57  1.0
  P  P8  1  0.26  0.0  0.69  1.0
  P  P9  1  0.28  0.5  0.09  1.0
  P  P10  1  0.37  0.5  0.2  1.0
  P  P11  1  0.7  0.0  0.77  1.0
  P  P12  1  0.85  0.5  1.0  1.0

Re Re B B P P P P P P P P P P P P P P