data_CrFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   156.01
_cell_angle_beta   156.01
_cell_angle_gamma   34.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNi
_chemical_formula_sum   'Cr1 Fe1 Ni1'
_cell_volume   33.55
_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  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.71  1.0
  Ni  Ni2  1  0.0  0.0  0.49  1.0

data_CrFeNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrFeNi
_chemical_formula_sum   'Cr2 Fe2 Ni2'
_cell_volume   67.11
_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  0.96  1.0
  Fe  Fe1  2  0.0  0.0  0.29  1.0
  Ni  Ni2  2  0.0  0.0  0.51  1.0

Cr Fe Ni