data_CuRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   4.15
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRe2Ni
_chemical_formula_sum   'Cu1 Re2 Ni1'
_cell_volume   52.88
_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  0.41  0.08  0.47  1.0
  Re  Re2  1  0.68  0.08  0.84  1.0
  Re  Re3  1  0.74  0.0  0.28  1.0
  Ni  Ni1  1  0.44  0.0  0.65  1.0

data_CuRe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.15
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRe2Ni
_chemical_formula_sum   'Cu1 Re2 Ni1'
_cell_volume   52.88
_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  0.41  0.08  0.47  1.0
  Re  Re1  1  0.68  0.08  0.84  1.0
  Re  Re2  1  0.74  0.0  0.28  1.0
  Ni  Ni3  1  0.44  0.0  0.65  1.0

Cu Re Re Ni