data_[La8Mg2Ti8O20]
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 [C2]
_cell_length_a [7.9402]
_cell_length_b [15.7882]
_cell_length_c [5.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [La4MgTi4O10]
_chemical_formula_sum '[La8 Mg2 Ti8 O20]'
_cell_volume [535.8474]
_cell_formula_units_Z [2]
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  4  0.1866  0.6164  0.3527  1
  La  La1  4  0.2206  0.3827  0.4577  1
  Mg  Mg2  2  0.0000  0.1498  0.0000  1
  Ti  Ti3  4  0.1798  0.0076  0.9855  1
  Ti  Ti4  4  0.2452  0.7682  0.0097  1
  O  O5  4  0.2235  0.6352  0.9432  1
  O  O6  4  0.2245  0.3900  0.9000  1
  O  O7  2  0.0000  0.0073  0.5000  1
  O  O8  2  0.0000  0.2480  0.5000  1
  O  O9  2  0.0000  0.2732  0.0000  1
  O  O10  2  0.0000  0.4988  0.0000  1
  O  O11  2  0.0000  0.7550  0.0000  1
  O  O12  2  0.0000  0.7931  0.5000  1
]