data_[Ce4Th8Sc20]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3647]
_cell_length_b [17.6452]
_cell_length_c [15.0840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeTh2Sc5]
_chemical_formula_sum '[Ce4 Th8 Sc20]'
_cell_volume [895.5343]
_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  0.0000  0.1919  0.2500  1
  Th  Th1  8  0.0000  0.1306  0.6313  1
  Sc  Sc2  8  0.0000  0.0492  0.0830  1
  Sc  Sc3  8  0.0000  0.3053  0.5576  1
  Sc  Sc4  4  0.0000  0.4909  0.7500  1
]