data_[Mg8Ti4O16]
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 [Imma]
_cell_length_a [6.0108]
_cell_length_b [6.0305]
_cell_length_c [8.5331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Mg2TiO4]
_chemical_formula_sum '[Mg8 Ti4 O16]'
_cell_volume [309.3092]
_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  0.2500  0.8642  1.0
  Mg  Mg1  4  0.2500  0.2500  0.2500  1.0
  Ti  Ti2  4  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0000  0.0150  0.2726  1.0
  O  O4  8  0.2241  0.2500  0.4985  1.0
]