data_[Ce8Ga4Pd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  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 [4.0969]
_cell_length_b [18.3384]
_cell_length_c [11.6648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2GaPdSe5]
_chemical_formula_sum '[Ce8 Ga4 Pd4 Se20]'
_cell_volume [876.3972]
_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  0.1144  0.2907  1
  Ce  Ce1  4  0.0000  0.1156  0.6703  1
  Ga  Ga2  4  0.0000  0.4089  0.4672  1
  Pd  Pd3  4  0.0000  0.2575  0.1124  1
  Se  Se4  4  0.0000  0.0347  0.0530  1
  Se  Se5  4  0.0000  0.3098  0.3250  1
  Se  Se6  4  0.0000  0.3172  0.6457  1
  Se  Se7  4  0.0000  0.3652  0.9822  1
  Se  Se8  4  0.0000  0.4920  0.2774  1
]