data_[Mg2Ti2Fe8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4761]
_cell_length_b [6.0166]
_cell_length_c [6.0774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTi(FeO2)4]
_chemical_formula_sum '[Mg2 Ti2 Fe8 O16]'
_cell_volume [313.8295]
_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  0.0000  0.5000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1299  0.5000  0.8912  1.0
  Fe  Fe3  4  0.2500  0.2500  0.5000  1.0
  O  O4  8  0.0033  0.2319  0.7668  1.0
  O  O5  4  0.2335  0.0000  0.2264  1.0
  O  O6  4  0.2420  0.0000  0.7261  1.0
]