data_[La12Mg3Ti9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [R-3]
_cell_length_a [5.6561]
_cell_length_b [5.6561]
_cell_length_c [27.6417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La4MgTi3O12]
_chemical_formula_sum '[La12 Mg3 Ti9 O36]'
_cell_volume [765.8131]
_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
[
  La  La0  6  0.0000  0.0000  0.1338  1.0
  La  La1  6  0.0000  0.0000  0.2790  1.0
  Mg  Mg2  3  -0.0000  0.0000  0.5000  1.0
  Ti  Ti3  6  0.0000  0.0000  0.4072  1.0
  Ti  Ti4  3  0.0000  0.0000  0.0000  1.0
  O  O5  18  0.0003  0.5708  0.2930  1.0
  O  O6  18  0.0050  0.5816  0.1227  1.0
]