data_[Ag1Hg5Pd4]
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 [P4/mmm]
_cell_length_a [3.0781]
_cell_length_b [3.0781]
_cell_length_c [19.5288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AgHg5Pd4]
_chemical_formula_sum '[Ag1 Hg5 Pd4]'
_cell_volume [185.0275]
_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  1  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.5000  0.5000  0.1087  1
  Hg  Hg2  2  0.5000  0.5000  0.3051  1
  Hg  Hg3  1  0.5000  0.5000  0.5000  1
  Pd  Pd4  2  0.0000  0.0000  0.2070  1
  Pd  Pd5  2  0.0000  0.0000  0.4024  1
]