data_CoRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   8.07
_cell_angle_alpha   152.59
_cell_angle_beta   152.59
_cell_angle_gamma   39.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe3
_chemical_formula_sum   'Co2 Re6'
_cell_volume   111.3
_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  0.72  1.0
  Co  Co1  1  0.0  0.0  0.5  1.0
  Re  Re2  1  0.0  0.91  0.0  1.0
  Re  Re3  1  0.0  0.0  0.92  1.0
  Re  Re4  1  0.0  0.0  0.29  1.0
  Re  Re5  1  0.0  0.91  0.8  1.0
  Re  Re6  1  0.91  0.0  0.8  1.0
  Re  Re7  1  0.91  0.0  0.0  1.0

data_CoRe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoRe3
_chemical_formula_sum   'Co4 Re12'
_cell_volume   222.6
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.28  1.0
  Co  Co1  2  0.0  0.0  0.5  1.0
  Re  Re2  4  0.46  0.46  0.91  1.0
  Re  Re3  4  0.46  0.54  0.11  1.0
  Re  Re4  2  0.0  0.0  0.08  1.0
  Re  Re5  2  0.0  0.0  0.71  1.0

Co Co Re Re Re Re Re Re
Co Co Re Re Re Re Re Re 0 6 - o o 0 5 o - o 0 1 o o o 1 4 o o o 2 7 - + o 2 4 o + o 3 6 - o o 3 5 o - o 4 7 - o o 5 6 - + o 