data_[Ag6Hg1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.9311]
_cell_length_b [5.9311]
_cell_length_c [4.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ag6HgPd]
_chemical_formula_sum '[Ag6 Hg1 Pd1]'
_cell_volume [145.5796]
_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
[
  Ag  Ag0  3  0.0044  0.5022  0.0000  1.0
  Ag  Ag1  3  0.3392  0.1696  0.5000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  1  0.3333  0.6667  0.5000  1.0
]