data_CoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86
_cell_length_b   11.86
_cell_length_c   11.86
_cell_angle_alpha   167.12
_cell_angle_beta   167.12
_cell_angle_gamma   18.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe2
_chemical_formula_sum   'Co2 Re4'
_cell_volume   82.83
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.33  0.85  1.0
  Re  Re2  1  0.33  0.0  0.09  1.0
  Re  Re3  1  0.33  0.0  0.62  1.0
  Re  Re4  1  0.0  0.0  0.94  1.0
  Re  Re5  1  0.0  0.0  0.48  1.0

data_CoRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   11.86
_cell_angle_alpha   96.44
_cell_angle_beta   96.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe2
_chemical_formula_sum   'Co2 Re4'
_cell_volume   82.83
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.52  0.85  0.52  1.0
  Re  Re2  1  0.09  0.76  0.76  1.0
  Re  Re3  1  0.48  0.48  0.48  1.0
  Re  Re4  1  0.62  0.29  0.29  1.0
  Re  Re5  1  0.94  0.94  0.94  1.0

Co Co Re Re Re Re
Co Co Re Re Re Re 0 4 o o - 0 2 o o o 1 5 o o o 1 2 o o + 1 3 o o o 2 2 + o + 2 2 o + + 2 4 o o - 2 4 + o o 3 3 + o + 3 3 o + + 3 5 o o o 3 5 + o + 