data_Cr2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45
_cell_length_b   2.45
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuNi
_chemical_formula_sum   'Cr2 Cu1 Ni1'
_cell_volume   46.11
_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  0.46  0.0  0.03  1.0
  Cr  Cr1  1  0.0  0.0  0.08  1.0
  Cu  Cu2  1  0.46  0.0  0.99  1.0
  Ni  Ni3  1  0.0  0.0  0.95  1.0

data_Cr2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   2.45
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuNi
_chemical_formula_sum   'Cr2 Cu1 Ni1'
_cell_volume   46.11
_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  0.0  0.0  0.08  1.0
  Cr  Cr1  1  0.46  0.0  0.03  1.0
  Cu  Cu2  1  0.46  0.0  0.99  1.0
  Ni  Ni3  1  0.0  0.0  0.95  1.0

Cr Cr Cu Ni
Cr Cr Cu Ni 0 2 o o - 0 1 o o o 0 3 o o - 1 3 o o - 2 3 o o o 