data_[Hg2H2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1375]
_cell_length_b [4.7643]
_cell_length_c [7.6781]
_cell_angle_alpha [82.0992]
_cell_angle_beta [78.5973]
_cell_angle_gamma [89.9713]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgHPd]
_chemical_formula_sum '[Hg2 H2 Pd2]'
_cell_volume [111.3984]
_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
[
  Hg  Hg0  2  0.4029  0.4782  0.1875  1.0
  H  H1  2  0.2116  0.0948  0.5801  1.0
  Pd  Pd2  2  0.2482  0.7468  0.5033  1.0
]