data_CuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.67
_cell_length_b   11.67
_cell_length_c   11.67
_cell_angle_alpha   160.98
_cell_angle_beta   160.98
_cell_angle_gamma   27.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRe2
_chemical_formula_sum   'Cu4 Re8'
_cell_volume   168.71
_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
  Cu  Cu0  1  0.0  0.0  0.86  1.0
  Cu  Cu1  1  0.0  0.0  0.84  1.0
  Cu  Cu2  1  0.0  0.93  0.53  1.0
  Cu  Cu3  1  0.0  0.93  0.82  1.0
  Re  Re4  1  0.0  0.0  0.62  1.0
  Re  Re5  1  0.0  0.0  0.07  1.0
  Re  Re6  1  0.0  0.93  0.29  1.0
  Re  Re7  1  0.0  0.93  0.05  1.0
  Re  Re8  1  0.0  0.0  0.43  1.0
  Re  Re9  1  0.0  0.0  0.27  1.0
  Re  Re10  1  0.93  0.0  0.75  1.0
  Re  Re11  1  0.93  0.0  0.59  1.0

data_CuRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   11.67
_cell_angle_alpha   99.51
_cell_angle_beta   99.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRe2
_chemical_formula_sum   'Cu4 Re8'
_cell_volume   168.71
_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  0.07  0.07  0.07  1.0
  Re  Re1  1  0.12  0.05  0.12  1.0
  Re  Re2  1  0.27  0.27  0.27  1.0
  Re  Re3  1  0.37  0.29  0.37  1.0
  Re  Re4  1  0.43  0.43  0.43  1.0
  Re  Re5  1  0.59  0.66  0.66  1.0
  Cu  Cu6  1  0.6  0.53  0.6  1.0
  Re  Re7  1  0.62  0.62  0.62  1.0
  Re  Re8  1  0.75  0.83  0.83  1.0
  Cu  Cu9  1  0.84  0.84  0.84  1.0
  Cu  Cu10  1  0.86  0.86  0.86  1.0
  Cu  Cu11  1  0.89  0.82  0.89  1.0

Cu Cu Cu Cu Re Re Re Re Re Re Re Re