data_[Ce4Th8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.8095]
_cell_length_b [8.3584]
_cell_length_c [7.8763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeTh2Se5]
_chemical_formula_sum '[Ce4 Th8 Se20]'
_cell_volume [843.2928]
_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  0.0052  0.7500  0.9206  1
  Th  Th1  8  0.1805  0.0013  0.4870  1
  Se  Se2  8  0.1072  0.0436  0.8391  1
  Se  Se3  4  0.0014  0.7500  0.5314  1
  Se  Se4  4  0.1834  0.7500  0.1783  1
  Se  Se5  4  0.2145  0.2500  0.2064  1
]