data_Zn2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.55
_cell_angle_alpha   99.42
_cell_angle_beta   99.42
_cell_angle_gamma   33.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeNi
_chemical_formula_sum   'Zn2 Fe1 Ni1'
_cell_volume   50.34
_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  Zn2  1  0.04  0.0  0.03  1.0
  Zn  Zn3  1  0.55  0.0  0.34  1.0
  Fe  Fe0  1  0.88  0.0  0.2  1.0
  Ni  Ni1  1  0.28  0.0  0.16  1.0

data_Zn2FeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.5
_cell_length_c   4.55
_cell_angle_alpha   99.42
_cell_angle_beta   90.0
_cell_angle_gamma   106.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeNi
_chemical_formula_sum   'Zn2 Fe1 Ni1'
_cell_volume   50.34
_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  Zn0  1  0.0  0.45  0.66  1.0
  Zn  Zn1  1  0.0  0.96  0.97  1.0
  Fe  Fe2  1  0.0  0.12  0.8  1.0
  Ni  Ni3  1  0.0  0.72  0.84  1.0

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