data_CuReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.29
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReNi2
_chemical_formula_sum   'Cu1 Re1 Ni2'
_cell_volume   49.38
_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  0.32  0.14  0.0  1.0
  Re  Re3  1  0.0  0.14  0.19  1.0
  Ni  Ni1  1  0.32  0.0  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_CuReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.29
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReNi2
_chemical_formula_sum   'Cu1 Re1 Ni2'
_cell_volume   49.38
_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
  Re  Re0  1  0.0  0.14  0.19  1.0
  Cu  Cu1  1  0.32  0.14  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.32  0.0  0.19  1.0

Cu Re Ni Ni