data_Re5B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5B4
_chemical_formula_sum   'Re10 B8'
_cell_volume   200.43
_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  Re8  1  0.42  0.18  0.15  1.0
  Re  Re9  1  0.63  0.0  0.15  1.0
  Re  Re10  1  0.18  0.42  0.15  1.0
  Re  Re11  1  0.82  0.42  0.38  1.0
  Re  Re12  1  0.83  0.0  0.38  1.0
  Re  Re13  1  0.58  0.18  0.38  1.0
  Re  Re14  1  0.0  0.73  0.77  1.0
  Re  Re15  1  0.23  0.87  0.0  1.0
  Re  Re16  1  0.23  0.87  0.77  1.0
  Re  Re17  1  0.0  0.73  0.0  1.0
  B  B0  1  0.0  0.0  0.77  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.31  0.28  0.15  1.0
  B  B3  1  0.84  0.0  0.15  1.0
  B  B4  1  0.08  0.32  0.15  1.0
  B  B5  1  0.92  0.32  0.38  1.0
  B  B6  1  0.63  0.0  0.38  1.0
  B  B7  1  0.69  0.28  0.38  1.0

data_Re5B4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5B4
_chemical_formula_sum   'Re10 B8'
_cell_volume   200.43
_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  0.0  0.0  0.73  1.0
  Re  Re1  1  0.0  0.23  0.87  1.0
  Re  Re2  1  0.15  0.18  0.42  1.0
  Re  Re3  1  0.15  0.42  0.18  1.0
  Re  Re4  1  0.15  0.63  0.0  1.0
  Re  Re5  1  0.38  0.58  0.18  1.0
  Re  Re6  1  0.38  0.82  0.42  1.0
  Re  Re7  1  0.38  0.83  0.0  1.0
  Re  Re8  1  0.77  0.0  0.73  1.0
  Re  Re9  1  0.77  0.23  0.87  1.0
  B  B10  1  0.0  0.0  0.0  1.0
  B  B11  1  0.15  0.08  0.32  1.0
  B  B12  1  0.15  0.31  0.28  1.0
  B  B13  1  0.15  0.84  0.0  1.0
  B  B14  1  0.38  0.63  0.0  1.0
  B  B15  1  0.38  0.69  0.28  1.0
  B  B16  1  0.38  0.92  0.32  1.0
  B  B17  1  0.77  0.0  0.0  1.0

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