data_[K2Hg3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3325]
_cell_length_b [4.9909]
_cell_length_c [8.7751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [K2Hg3Pd]
_chemical_formula_sum '[K2 Hg3 Pd1]'
_cell_volume [189.7437]
_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
[
  K  K0  1  0.0000  0.0000  0.4874  1
  K  K1  1  0.0000  0.5000  0.0220  1
  Hg  Hg2  1  0.5000  0.0000  0.1905  1
  Hg  Hg3  1  0.5000  0.0000  0.8389  1
  Hg  Hg4  1  0.5000  0.5000  0.6368  1
  Pd  Pd5  1  0.5000  0.5000  0.3244  1
]