data_[Zn4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8190]
_cell_length_b [2.5566]
_cell_length_c [4.6524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnFe]
_chemical_formula_sum '[Zn4 Fe4]'
_cell_volume [103.9104]
_cell_formula_units_Z [4]
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  4  0.1232  0.5000  0.9636  1.0
  Fe  Fe1  4  0.1265  0.0000  0.4689  1.0
]