data_[Zn2Fe2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3555]
_cell_length_b [5.4968]
_cell_length_c [5.7454]
_cell_angle_alpha [70.2553]
_cell_angle_beta [65.0370]
_cell_angle_gamma [71.3663]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnFeO3]
_chemical_formula_sum '[Zn2 Fe2 O6]'
_cell_volume [141.1782]
_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  0.4547  0.5914  0.7334  1
  Fe  Fe1  2  0.2505  0.0917  0.9208  1
  O  O2  2  0.1180  0.8884  0.8050  1
  O  O3  2  0.2835  0.3735  0.6310  1
  O  O4  2  0.4577  0.2354  0.0350  1
]