data_[Ce8Sc4Pd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  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 [3.9848]
_cell_length_b [16.9983]
_cell_length_c [12.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ScPdSe5]
_chemical_formula_sum '[Ce8 Sc4 Pd4 Se20]'
_cell_volume [831.4185]
_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  0.1059  0.3483  1.0
  Ce  Ce1  4  0.0000  0.1266  0.7004  1.0
  Sc  Sc2  4  0.0000  0.1754  0.0215  1.0
  Pd  Pd3  4  0.0000  0.4392  0.4233  1.0
  Se  Se4  4  0.0000  0.0156  0.0304  1.0
  Se  Se5  4  0.0000  0.2974  0.3605  1.0
  Se  Se6  4  0.0000  0.3083  0.6785  1.0
  Se  Se7  4  0.0000  0.3388  0.0206  1.0
  Se  Se8  4  0.0000  0.4997  0.2404  1.0
]