data_[Mg6Ti12O24]
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 [R3m]
_cell_length_a [5.9331]
_cell_length_b [5.9331]
_cell_length_c [15.2308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgTi2O4]
_chemical_formula_sum '[Mg6 Ti12 O24]'
_cell_volume [464.3155]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0030  1.0
  Mg  Mg1  3  0.0000  0.0000  0.3695  1.0
  Ti  Ti2  9  0.1731  0.3462  0.2098  1.0
  Ti  Ti3  3  0.0000  0.0000  0.7544  1.0
  O  O4  9  0.0165  0.5083  0.1250  1.0
  O  O5  9  0.1764  0.3528  0.9503  1.0
  O  O6  3  0.0000  0.0000  0.1354  1.0
  O  O7  3  0.0000  0.0000  0.6321  1.0
]