data_CrFeNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   130.86
_cell_angle_beta   130.86
_cell_angle_gamma   72.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNi2
_chemical_formula_sum   'Cr1 Fe1 Ni2'
_cell_volume   43.16
_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  0.0  1.0
  Fe  Fe1  1  0.77  0.0  0.72  1.0
  Ni  Ni2  1  0.0  0.0  0.44  1.0
  Ni  Ni3  1  0.0  0.77  0.72  1.0

data_CrFeNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   4.26
_cell_angle_alpha   114.57
_cell_angle_beta   114.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNi2
_chemical_formula_sum   'Cr1 Fe1 Ni2'
_cell_volume   43.16
_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  0.0  1.0
  Fe  Fe1  1  0.72  0.95  0.95  1.0
  Ni  Ni2  1  0.44  0.44  0.44  1.0
  Ni  Ni3  1  0.95  0.72  0.95  1.0

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