data_[Cr8Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1814]
_cell_length_b [3.0394]
_cell_length_c [9.9189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cr2FeO4]
_chemical_formula_sum '[Cr8 Fe4 O16]'
_cell_volume [306.9465]
_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
[
  Cr  Cr0  4  0.1006  0.7500  0.9156  1
  Cr  Cr1  4  0.1611  0.7500  0.2828  1
  Fe  Fe2  4  0.1198  0.7500  0.5651  1
  O  O3  4  0.0323  0.7500  0.1136  1
  O  O4  4  0.0631  0.2500  0.3788  1
  O  O5  4  0.2148  0.7500  0.7361  1
  O  O6  4  0.2234  0.2500  0.9492  1
]