data_Cr2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45
_cell_length_b   2.45
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuNi
_chemical_formula_sum   'Cr2 Cu1 Ni1'
_cell_volume   45.67
_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  0.22  0.22  0.51  1.0
  Cr  Cr1  1  0.0  0.0  0.92  1.0
  Cu  Cu2  1  0.22  0.22  0.88  1.0
  Ni  Ni3  1  0.0  0.0  0.76  1.0

data_Cr2CuNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuNi
_chemical_formula_sum   'Cr4 Cu2 Ni2'
_cell_volume   91.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.92  1.0
  Cr  Cr1  2  0.22  0.0  0.51  1.0
  Cu  Cu2  2  0.22  0.0  0.88  1.0
  Ni  Ni3  2  0.0  0.0  0.76  1.0

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