data_[Mg4Ti16O32]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5003]
_cell_length_b [8.5003]
_cell_length_c [8.5003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MgTi4O8]
_chemical_formula_sum '[Mg4 Ti16 O32]'
_cell_volume [614.1870]
_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
[
  Mg  Mg0  4  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  16  0.1216  0.1216  0.6216  1.0
  O  O2  16  0.1099  0.1099  0.3901  1.0
  O  O3  16  0.1363  0.1363  0.8637  1.0
]