data_[Ce2Y8Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4313]
_cell_length_b [3.5665]
_cell_length_c [6.1648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY4Th]
_chemical_formula_sum '[Ce2 Y8 Th2]'
_cell_volume [382.0212]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.5000  1
  Y  Y1  4  0.1634  0.5000  0.3293  1
  Y  Y2  4  0.1643  0.0000  0.8317  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
]