data_[Mg2Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [4.9929]
_cell_length_b [5.0671]
_cell_length_c [5.4062]
_cell_angle_alpha [62.4034]
_cell_angle_beta [89.3479]
_cell_angle_gamma [62.7578]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgFeO3]
_chemical_formula_sum '[Mg2 Fe2 O6]'
_cell_volume [104.2150]
_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
[
  Mg  Mg0  2  0.1430  0.7173  0.4251  1.0
  Fe  Fe1  2  0.3471  0.3005  0.0395  1.0
  O  O2  2  0.0747  0.2021  0.2468  1.0
  O  O3  2  0.2656  0.1904  0.7654  1.0
  O  O4  2  0.4581  0.4825  0.2369  1.0
]