data_[Ce20Th4In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3090]
_cell_length_b [11.6759]
_cell_length_c [14.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce5ThIn2]
_chemical_formula_sum '[Ce20 Th4 In8]'
_cell_volume [875.7644]
_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  8  0.0000  0.1642  0.1465  1
  Ce  Ce1  8  0.0000  0.3806  0.5324  1
  Ce  Ce2  4  0.0000  0.3104  0.7500  1
  Th  Th3  4  0.0000  0.4428  0.2500  1
  In  In4  8  0.0000  0.1052  0.5966  1
]