data_[Li6Hg2H1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.2716]
_cell_length_b [5.7463]
_cell_length_c [6.1062]
_cell_angle_alpha [86.6930]
_cell_angle_beta [69.9765]
_cell_angle_gamma [63.9002]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li6Hg2HPd]
_chemical_formula_sum '[Li6 Hg2 H1 Pd1]'
_cell_volume [155.1158]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.0225  0.1060  0.2859  1.0
  Li  Li1  2  0.0975  0.6525  0.1026  1.0
  Li  Li2  2  0.4606  0.8575  0.8031  1.0
  Hg  Hg3  2  0.4806  0.3323  0.6947  1.0
  H  H4  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd5  1  0.0000  0.5000  0.5000  1.0
]