data_Cu2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.42
_cell_angle_alpha   104.27
_cell_angle_beta   104.27
_cell_angle_gamma   28.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Re
_chemical_formula_sum   'Cu4 Re2'
_cell_volume   79.3
_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
  Cu  Cu0  1  0.91  0.0  0.02  1.0
  Cu  Cu1  1  0.4  0.0  0.75  1.0
  Cu  Cu2  1  0.09  0.0  0.03  1.0
  Cu  Cu3  1  0.27  0.0  0.13  1.0
  Re  Re4  1  0.6  0.0  0.79  1.0
  Re  Re5  1  0.64  0.0  0.89  1.0

data_Cu2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.14
_cell_length_c   6.42
_cell_angle_alpha   104.27
_cell_angle_beta   90.0
_cell_angle_gamma   104.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Re
_chemical_formula_sum   'Cu4 Re2'
_cell_volume   79.3
_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
  Cu  Cu0  1  0.0  0.09  0.98  1.0
  Re  Re1  1  0.0  0.36  0.11  1.0
  Re  Re2  1  0.0  0.4  0.21  1.0
  Cu  Cu3  1  0.0  0.6  0.25  1.0
  Cu  Cu4  1  0.0  0.73  0.87  1.0
  Cu  Cu5  1  0.0  0.91  0.97  1.0

Cu Cu Cu Cu Re Re