data_ReBP9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   13.45
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBP9
_chemical_formula_sum   'Re2 B2 P18'
_cell_volume   353.79
_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  Re20  1  0.52  0.36  0.14  1.0
  Re  Re21  1  0.01  0.09  0.59  1.0
  B  B0  1  0.0  0.73  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.21  0.36  0.63  1.0
  P  P3  1  0.32  0.09  0.1  1.0
  P  P4  1  0.9  0.36  0.12  1.0
  P  P5  1  0.63  0.09  0.61  1.0
  P  P6  1  0.09  0.36  0.32  1.0
  P  P7  1  0.43  0.09  0.41  1.0
  P  P8  1  0.51  0.48  0.33  1.0
  P  P9  1  0.02  0.21  0.4  1.0
  P  P10  1  0.02  0.97  0.4  1.0
  P  P11  1  0.51  0.25  0.33  1.0
  P  P12  1  0.76  0.85  0.64  1.0
  P  P13  1  0.77  0.12  0.09  1.0
  P  P14  1  0.77  0.61  0.09  1.0
  P  P15  1  0.76  0.33  0.64  1.0
  P  P16  1  0.31  0.84  0.4  1.0
  P  P17  1  0.22  0.57  0.33  1.0
  P  P18  1  0.22  0.61  0.33  1.0
  P  P19  1  0.31  0.89  0.4  1.0

data_ReBP9
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   5.73
_cell_length_c   13.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBP9
_chemical_formula_sum   'Re2 B2 P18'
_cell_volume   353.79
_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  Re0  1  0.48  0.86  0.64  1.0
  Re  Re1  1  0.99  0.41  0.91  1.0
  B  B2  1  -0.0  0.0  0.27  1.0
  B  B3  1  0.0  0.0  0.0  1.0
  P  P4  1  0.1  0.88  0.64  1.0
  P  P5  1  0.23  0.91  0.39  1.0
  P  P6  1  0.23  0.91  0.88  1.0
  P  P7  1  0.24  0.36  0.15  1.0
  P  P8  1  0.24  0.36  0.67  1.0
  P  P9  1  0.37  0.39  0.91  1.0
  P  P10  1  0.49  0.67  0.52  1.0
  P  P11  1  0.49  0.67  0.75  1.0
  P  P12  1  0.57  0.59  0.91  1.0
  P  P13  1  0.68  0.9  0.91  1.0
  P  P14  1  0.69  0.6  0.11  1.0
  P  P15  1  0.69  0.6  0.16  1.0
  P  P16  1  0.78  0.67  0.39  1.0
  P  P17  1  0.78  0.67  0.43  1.0
  P  P18  1  0.79  0.37  0.64  1.0
  P  P19  1  0.91  0.68  0.64  1.0
  P  P20  1  0.98  0.6  0.03  1.0
  P  P21  1  0.98  0.6  0.79  1.0

Re Re B B P P P P P P P P P P P P P P P P P P
Re Re B B P P P P P P P P P P P P P P P P P P 0 13 o o o 0 10 o o o 0 6 o o o 1 7 - o o 1 12 o - o 1 11 o o o 2 16 - o o 2 14 - o - 3 15 - o o 3 12 o - o 3 5 o o o 4 17 - o o 4 17 o o o 4 8 o o o 4 11 o o o 5 15 o o o 5 15 - o o 5 9 o o o 5 13 o o o 6 8 + o o 7 9 o o o 8 11 o o o 8 13 o o o 8 17 - o o 9 11 o o o 9 13 o o o 9 15 o o o 10 19 o o o 10 16 o o o 11 15 - o o 11 13 - o o 11 13 o o o 11 17 - o o 12 21 o o o 12 14 - o o 13 15 o o o 13 17 o o o 14 18 o o o 14 18 + o o 14 21 o o o 14 21 + o o 16 19 + o o 16 20 + o o 18 21 o o o 19 20 o o o 