data_[Pa8Pd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5366]
_cell_length_b [13.5861]
_cell_length_c [13.0467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa2PdSe5]
_chemical_formula_sum '[Pa8 Pd4 Se20]'
_cell_volume [981.3735]
_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
[
  Pa  Pa0  8  0.0000  0.1403  0.5621  1
  Pd  Pd1  4  0.0000  0.3024  0.2500  1
  Se  Se2  8  0.0000  0.0497  0.1240  1
  Se  Se3  8  0.0000  0.3292  0.0548  1
  Se  Se4  4  0.0000  0.2344  0.7500  1
]