data_[Ce2Mg1Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [5.1793]
_cell_length_b [6.6554]
_cell_length_c [7.8696]
_cell_angle_alpha [76.5636]
_cell_angle_beta [77.6122]
_cell_angle_gamma [72.6075]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2MgTi4O12]
_chemical_formula_sum '[Ce2 Mg1 Ti4 O12]'
_cell_volume [248.6855]
_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
[
  Ce  Ce0  2  0.3308  0.7955  0.1625  1.0
  Mg  Mg1  1  0.0000  0.0000  0.5000  1.0
  Ti  Ti2  2  0.0140  0.6564  0.8325  1.0
  Ti  Ti3  2  0.4880  0.1828  0.3390  1.0
  O  O4  2  0.0478  0.6265  0.0852  1.0
  O  O5  2  0.0982  0.9490  0.7545  1.0
  O  O6  2  0.1073  0.2928  0.3951  1.0
  O  O7  2  0.3888  0.1633  0.1079  1.0
  O  O8  2  0.4060  0.5557  0.7526  1.0
  O  O9  2  0.4111  0.8778  0.4247  1.0
]