data_ZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2
_chemical_formula_sum   'Zn2 Fe4'
_cell_volume   73.64
_cell_formula_units_Z   2
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  Zn4  1  0.27  0.49  0.06  1.0
  Zn  Zn5  1  0.27  0.51  0.19  1.0
  Fe  Fe0  1  0.27  0.03  0.06  1.0
  Fe  Fe1  1  0.27  0.06  0.19  1.0
  Fe  Fe2  1  0.27  0.94  0.06  1.0
  Fe  Fe3  1  0.27  0.97  0.19  1.0

data_ZnFe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.55
_cell_length_b   4.25
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnFe2
_chemical_formula_sum   'Zn2 Fe4'
_cell_volume   73.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.49  0.56  0.99  1.0
  Fe  Fe1  2  0.03  0.56  0.53  1.0
  Fe  Fe2  2  0.06  0.44  0.56  1.0

Zn Zn Fe Fe Fe Fe