data_[La3Ce6Ti3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2159]
_cell_length_b [3.2159]
_cell_length_c [34.6124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LaCe2Ti]
_chemical_formula_sum '[La3 Ce6 Ti3]'
_cell_volume [310.0086]
_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  3  0.0000  0.0000  0.0000  1
  Ce  Ce1  6  0.0000  0.0000  0.0923  1
  Ti  Ti2  3  -0.0000  -0.0000  0.5000  1
]