data_[Ba6Mg3Ti6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [5.9847]
_cell_length_b [5.9847]
_cell_length_c [17.0686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2MgTi2O6]
_chemical_formula_sum '[Ba6 Mg3 Ti6 O18]'
_cell_volume [529.4322]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.2768  1
  Ba  Ba1  3  0.0000  0.0000  0.7077  1
  Mg  Mg2  3  0.0000  0.0000  0.9169  1
  Ti  Ti3  3  0.0000  0.0000  0.0778  1
  Ti  Ti4  3  0.0000  0.0000  0.4993  1
  O  O5  9  0.0283  0.5141  0.2241  1
  O  O6  9  0.1774  0.3547  0.0780  1
]