data_ZnFeNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeNi2
_chemical_formula_sum   'Zn1 Fe1 Ni2'
_cell_volume   46.68
_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
  Zn  Zn3  1  0.0  0.0  0.49  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.29  0.29  0.71  1.0
  Ni  Ni2  1  0.29  0.29  0.28  1.0

data_ZnFeNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnFeNi2
_chemical_formula_sum   'Zn2 Fe2 Ni4'
_cell_volume   93.36
_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
  Zn  Zn0  2  0.0  0.0  0.49  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.29  0.0  0.28  1.0
  Ni  Ni3  2  0.29  0.0  0.71  1.0

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