data_[Hg3Bi1H2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7357]
_cell_length_b [5.7357]
_cell_length_c [9.0597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Hg3BiH2Pd9]
_chemical_formula_sum '[Hg3 Bi1 H2 Pd9]'
_cell_volume [258.1220]
_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
[
  Hg  Hg0  2  0.3333  0.6667  0.2811  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  6  0.1690  0.3379  0.7367  1.0
  Pd  Pd4  3  0.0000  0.5000  0.0000  1.0
  H  H5  2  0.3333  0.6667  0.8828  1.0
]