data_Cr2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   136.24
_cell_angle_beta   136.24
_cell_angle_gamma   63.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuNi
_chemical_formula_sum   'Cr2 Cu1 Ni1'
_cell_volume   45.59
_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  0.71  0.0  0.95  1.0
  Cr  Cr1  1  0.0  0.71  0.95  1.0
  Cu  Cu2  1  0.0  0.0  0.9  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Cr2CuNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   121.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuNi
_chemical_formula_sum   'Cr4 Cu2 Ni2'
_cell_volume   91.18
_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  4  0.15  0.15  0.24  1.0
  Cu  Cu1  2  0.0  0.0  0.9  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

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