data_Cu3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   151.3
_cell_angle_beta   128.23
_cell_angle_gamma   60.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Re
_chemical_formula_sum   'Cu3 Re1'
_cell_volume   51.63
_cell_formula_units_Z   1
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  0.26  0.33  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.28  0.0  0.14  1.0
  Re  Re3  1  0.0  0.0  0.47  1.0

data_Cu3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.51
_cell_length_c   5.17
_cell_angle_alpha   115.88
_cell_angle_beta   104.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Re
_chemical_formula_sum   'Cu3 Re1'
_cell_volume   51.63
_cell_formula_units_Z   1
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  0.0  1.0
  Cu  Cu1  1  0.0  0.14  0.86  1.0
  Re  Re2  1  0.0  0.47  0.47  1.0
  Cu  Cu3  1  0.74  0.07  0.07  1.0

Cu Cu Cu Re