data_ReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.03
_cell_length_b   13.03
_cell_length_c   13.03
_cell_angle_alpha   167.17
_cell_angle_beta   167.17
_cell_angle_gamma   18.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2
_chemical_formula_sum   'Re4 B8'
_cell_volume   108.97
_cell_formula_units_Z   4
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  0.0  0.46  0.66  1.0
  Re  Re9  1  0.0  0.46  0.2  1.0
  Re  Re10  1  0.0  0.0  0.95  1.0
  Re  Re11  1  0.0  0.0  0.77  1.0
  B  B0  1  0.0  0.46  0.02  1.0
  B  B1  1  0.0  0.46  0.84  1.0
  B  B2  1  0.0  0.0  0.31  1.0
  B  B3  1  0.0  0.0  0.41  1.0
  B  B4  1  0.46  0.0  0.15  1.0
  B  B5  1  0.46  0.0  0.72  1.0
  B  B6  1  0.0  0.0  0.58  1.0
  B  B7  1  0.0  0.0  0.15  1.0

data_ReB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   13.03
_cell_angle_alpha   96.41
_cell_angle_beta   96.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2
_chemical_formula_sum   'Re4 B8'
_cell_volume   108.97
_cell_formula_units_Z   4
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  0.05  0.0  0.05  1.0
  Re  Re1  1  0.23  0.0  0.23  1.0
  Re  Re2  1  0.25  0.46  0.25  1.0
  Re  Re3  1  0.8  0.46  0.8  1.0
  B  B4  1  0.28  0.0  0.74  1.0
  B  B5  1  0.42  0.0  0.42  1.0
  B  B6  1  0.44  0.46  0.44  1.0
  B  B7  1  0.59  0.0  0.59  1.0
  B  B8  1  0.61  0.46  0.61  1.0
  B  B9  1  0.69  0.0  0.69  1.0
  B  B10  1  0.85  0.0  0.31  1.0
  B  B11  1  0.85  0.0  0.85  1.0

Re Re Re Re B B B B B B B B
Re Re Re Re B B B B B B B B 0 11 o + + 0 11 o o o 0 6 o o o 1 3 o o - 1 3 o + o 1 2 o o - 1 8 o + + 1 8 o o o 2 2 + o + 2 2 o + + 2 3 o o o 2 11 o o + 3 8 o o + 3 8 - o o 4 10 o o - 5 7 o o o 6 9 o o o 6 7 o o o 8 10 o o - 8 10 + o o 