data_[Ce4Th4Ti4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2948]
_cell_length_b [8.0111]
_cell_length_c [6.1877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [CeThTi]
_chemical_formula_sum '[Ce4 Th4 Ti4]'
_cell_volume [312.0311]
_cell_formula_units_Z [4]
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  4  0.1014  0.1626  0.0000  1
  Th  Th1  4  0.1456  0.8222  0.5000  1
  Ti  Ti2  4  0.0000  0.5000  0.2329  1
]