data_[Mg1Fe8O12]
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 [P2]
_cell_length_a [5.7093]
_cell_length_b [5.3125]
_cell_length_c [7.6783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Mg(Fe2O3)4]
_chemical_formula_sum '[Mg1 Fe8 O12]'
_cell_volume [231.6210]
_cell_formula_units_Z [1]
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  1  0.5000  0.7550  0.0000  1
  Fe  Fe1  2  0.0535  0.7395  0.2173  1
  Fe  Fe2  2  0.2014  0.2438  0.9084  1
  Fe  Fe3  2  0.2090  0.2359  0.4027  1
  Fe  Fe4  2  0.3144  0.7412  0.6010  1
  O  O5  2  0.1440  0.0758  0.6562  1
  O  O6  2  0.1490  0.3804  0.1637  1
  O  O7  2  0.2922  0.5872  0.8285  1
  O  O8  2  0.3448  0.8938  0.3569  1
  O  O9  1  0.0000  0.5491  0.5000  1
  O  O10  1  0.0000  0.9570  0.0000  1
  O  O11  1  0.5000  0.1112  0.0000  1
  O  O12  1  0.5000  0.4323  0.5000  1
]