data_CrCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   4.06
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuNi2
_chemical_formula_sum   'Cr1 Cu1 Ni2'
_cell_volume   45.18
_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
  Cr  Cr0  1  0.83  0.0  0.23  1.0
  Cu  Cu1  1  0.96  0.03  0.49  1.0
  Ni  Ni2  1  0.58  0.0  0.56  1.0
  Ni  Ni3  1  0.64  0.03  0.19  1.0

data_CrCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   4.06
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuNi2
_chemical_formula_sum   'Cr1 Cu1 Ni2'
_cell_volume   45.18
_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
  Cr  Cr0  1  0.83  0.0  0.23  1.0
  Cu  Cu1  1  0.96  0.03  0.49  1.0
  Ni  Ni2  1  0.58  0.0  0.56  1.0
  Ni  Ni3  1  0.64  0.03  0.19  1.0

Cr Cu Ni Ni