data_[Mg3Ti3In6O18]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3499]
_cell_length_b [5.3499]
_cell_length_c [14.2714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgTiIn2O6]
_chemical_formula_sum '[Mg3 Ti3 In6 O18]'
_cell_volume [353.7392]
_cell_formula_units_Z [3]
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  0.8106  1.0
  Ti  Ti1  3  0.0000  0.0000  0.3122  1.0
  In  In2  3  0.0000  0.0000  0.0300  1.0
  In  In3  3  0.0000  0.0000  0.5246  1.0
  O  O4  9  0.0036  0.3775  0.5829  1.0
  O  O5  9  0.0244  0.7219  0.4117  1.0
]