data_[H6Pd14Se2]
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 [C2/m]
_cell_length_a [7.5462]
_cell_length_b [7.6768]
_cell_length_c [4.8887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H3Pd7Se]
_chemical_formula_sum '[H6 Pd14 Se2]'
_cell_volume [276.5949]
_cell_formula_units_Z [2]
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  8  0.1478  0.1945  0.7383  1.0
  H  H1  4  0.0000  0.1686  0.0000  1.0
  Pd  Pd2  4  0.1615  0.0000  0.2412  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]