data_[Zn4Fe2]
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 [P-1]
_cell_length_a [2.6392]
_cell_length_b [5.1990]
_cell_length_c [6.2560]
_cell_angle_alpha [76.2861]
_cell_angle_beta [89.5360]
_cell_angle_gamma [75.4786]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn2Fe]
_chemical_formula_sum '[Zn4 Fe2]'
_cell_volume [80.6085]
_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  Zn0  2  0.3104  0.3867  0.8593  1.0
  Zn  Zn1  2  0.3672  0.2625  0.4720  1.0
  Fe  Fe2  2  0.0203  0.9459  0.8194  1.0
]