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 [P1]
_cell_length_a [5.1365]
_cell_length_b [6.8042]
_cell_length_c [7.6017]
_cell_angle_alpha [78.0234]
_cell_angle_beta [75.1843]
_cell_angle_gamma [70.7545]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ce2MgTi4O12]
_chemical_formula_sum '[Ce2 Mg1 Ti4 O12]'
_cell_volume [240.2707]
_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  1  0.2218  0.2011  0.8259  1.0
  Ce  Ce1  1  0.8066  0.8269  0.1399  1.0
  Mg  Mg2  1  0.7865  0.4662  0.5235  1.0
  Ti  Ti3  1  0.0020  0.1419  0.3219  1.0
  Ti  Ti4  1  0.0346  0.8392  0.6465  1.0
  Ti  Ti5  1  0.4574  0.3655  0.1901  1.0
  Ti  Ti6  1  0.5275  0.6657  0.8413  1.0
  O  O7  1  0.0333  0.1411  0.5821  1.0
  O  O8  1  0.0614  0.4631  0.2772  1.0
  O  O9  1  0.1437  0.8541  0.8845  1.0
  O  O10  1  0.3833  0.0863  0.1999  1.0
  O  O11  1  0.4251  0.6940  0.5964  1.0
  O  O12  1  0.4456  0.4011  0.9115  1.0
  O  O13  1  0.5404  0.6291  0.1012  1.0
  O  O14  1  0.5998  0.3171  0.4041  1.0
  O  O15  1  0.6465  0.9248  0.8100  1.0
  O  O16  1  0.8760  0.1778  0.0956  1.0
  O  O17  1  0.9234  0.5525  0.7175  1.0
  O  O18  1  0.9475  0.8730  0.4032  1.0
]