data_CoReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   3.29
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReB
_chemical_formula_sum   'Co4 Re4 B4'
_cell_volume   120.53
_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
  Co  Co0  1  0.81  0.47  0.89  1.0
  Co  Co1  1  0.82  0.82  0.62  1.0
  Co  Co2  1  0.99  0.47  0.36  1.0
  Co  Co3  1  0.63  0.82  0.15  1.0
  Re  Re4  1  0.98  0.82  0.14  1.0
  Re  Re5  1  0.65  0.47  0.37  1.0
  Re  Re6  1  0.16  0.82  0.12  1.0
  Re  Re7  1  0.46  0.47  0.39  1.0
  B  B8  1  0.51  0.82  0.7  1.0
  B  B9  1  0.12  0.47  0.81  1.0
  B  B10  1  0.32  0.82  0.07  1.0
  B  B11  1  0.3  0.47  0.44  1.0

data_CoReB
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.29
_cell_length_b   5.63
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoReB
_chemical_formula_sum   'Co4 Re4 B4'
_cell_volume   120.53
_cell_formula_units_Z   4
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
  Co  Co0  2  0.18  0.01  0.86  1.0
  Co  Co1  2  0.18  0.82  0.39  1.0
  Re  Re2  2  0.18  0.16  0.38  1.0
  Re  Re3  2  0.18  0.35  0.36  1.0
  B  B4  2  0.18  0.51  0.31  1.0
  B  B5  2  0.18  0.7  0.94  1.0

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