data_ReB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB3
_chemical_formula_sum   'Re2 B6'
_cell_volume   66.6
_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  Re6  1  0.47  0.59  0.53  1.0
  Re  Re7  1  0.47  0.41  0.51  1.0
  B  B0  1  0.47  0.54  0.55  1.0
  B  B1  1  0.47  0.46  0.57  1.0
  B  B2  1  0.47  0.46  0.49  1.0
  B  B3  1  0.47  0.54  0.47  1.0
  B  B4  1  0.0  0.0  0.02  1.0
  B  B5  1  0.0  0.0  0.0  1.0

data_ReB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.02
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB3
_chemical_formula_sum   'Re2 B6'
_cell_volume   66.6
_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  0.41  0.89  0.53  1.0
  Re  Re1  1  0.59  0.06  0.51  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.0  0.0  0.02  1.0
  B  B4  1  0.46  0.93  0.47  1.0
  B  B5  1  0.46  0.93  0.55  1.0
  B  B6  1  0.54  0.01  0.49  1.0
  B  B7  1  0.54  0.01  0.57  1.0

Re Re B B B B B B
Re Re B B B B B B 0 2 o o o 0 5 o o o 1 4 o o o 1 3 o o o 2 3 o o o 4 5 o o o 6 7 o o o 