data_[Ce8In4Pd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1697]
_cell_length_b [18.0786]
_cell_length_c [12.1148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2InPdSe5]
_chemical_formula_sum '[Ce8 In4 Pd4 Se20]'
_cell_volume [913.2427]
_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  0.1197  0.2924  1
  Ce  Ce1  4  0.0000  0.1211  0.6663  1
  In  In2  4  0.0000  0.4095  0.4669  1
  Pd  Pd3  4  0.0000  0.2572  0.1052  1
  Se  Se4  4  0.0000  0.0326  0.0691  1
  Se  Se5  4  0.0000  0.3037  0.3168  1
  Se  Se6  4  0.0000  0.3128  0.6512  1
  Se  Se7  4  0.0000  0.3659  0.9799  1
  Se  Se8  4  0.0000  0.4927  0.2761  1
]