data_CuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   103.52
_cell_angle_beta   103.52
_cell_angle_gamma   122.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRe2
_chemical_formula_sum   'Cu2 Re4'
_cell_volume   83.78
_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
  Cu  Cu0  1  0.0  0.0  0.17  1.0
  Cu  Cu1  1  0.0  0.0  0.51  1.0
  Re  Re2  1  0.12  0.87  0.0  1.0
  Re  Re3  1  0.12  0.13  0.34  1.0
  Re  Re4  1  0.87  0.87  0.0  1.0
  Re  Re5  1  0.87  0.12  0.34  1.0

data_CuRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   76.48
_cell_angle_beta   61.09
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRe2
_chemical_formula_sum   'Cu2 Re4'
_cell_volume   83.78
_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
  Cu  Cu0  1  0.0  0.0  0.49  1.0
  Cu  Cu1  1  0.0  0.0  0.83  1.0
  Re  Re2  1  0.12  0.76  0.66  1.0
  Re  Re3  1  0.13  0.99  0.66  1.0
  Re  Re4  1  0.87  0.01  -0.0  1.0
  Re  Re5  1  0.87  0.24  -0.0  1.0

Cu Cu Re Re Re Re