data_[Mg2Fe8O18]
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 [P4/n]
_cell_length_a [8.2721]
_cell_length_b [8.2721]
_cell_length_c [5.3601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [85]
_chemical_formula_structural [MgFe4O9]
_chemical_formula_sum '[Mg2 Fe8 O18]'
_cell_volume [366.7750]
_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  0.0000  0.5000  0.1863  1
  Fe  Fe1  8  0.0865  0.7765  0.6074  1
  O  O2  8  0.0498  0.6884  0.9215  1
  O  O3  8  0.1077  0.2968  0.4192  1
  O  O4  2  0.0000  0.0000  0.5000  1
]