data_[H4Pd12Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6561]
_cell_length_b [6.4079]
_cell_length_c [6.8866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HPd3Se]
_chemical_formula_sum '[H4 Pd12 Se4]'
_cell_volume [286.6270]
_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
[
  Pd  Pd0  4  0.2181  0.0225  0.1603  1.0
  Pd  Pd1  4  0.2399  0.0142  0.7334  1.0
  H  H2  4  0.3998  0.2425  0.2353  1.0
  Pd  Pd3  4  0.4914  0.7229  0.9909  1.0
  Se  Se4  4  0.0984  0.7135  0.9160  1.0
]