data_[La4Mg1Ti3O12]
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 [P-1]
_cell_length_a [5.5973]
_cell_length_b [5.6586]
_cell_length_c [7.9360]
_cell_angle_alpha [90.1109]
_cell_angle_beta [90.0012]
_cell_angle_gamma [90.1678]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4MgTi3O12]
_chemical_formula_sum '[La4 Mg1 Ti3 O12]'
_cell_volume [251.3529]
_cell_formula_units_Z [1]
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  2  0.0067  0.0386  0.2535  1.0
  La  La1  2  0.4926  0.5434  0.2540  1.0
  Mg  Mg2  1  0.5000  0.0000  0.5000  1.0
  Ti  Ti3  1  0.0000  0.5000  0.0000  1.0
  Ti  Ti4  1  0.0000  0.5000  0.5000  1.0
  Ti  Ti5  1  0.5000  0.0000  0.0000  1.0
  O  O6  2  0.0761  0.5179  0.7486  1.0
  O  O7  2  0.1989  0.7891  0.4573  1.0
  O  O8  2  0.2159  0.7846  0.0400  1.0
  O  O9  2  0.2864  0.2848  0.0422  1.0
  O  O10  2  0.2895  0.3023  0.4590  1.0
  O  O11  2  0.4182  0.0223  0.7548  1.0
]