data_[K6Hg8Pd4]
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 [C2/m]
_cell_length_a [12.4632]
_cell_length_b [4.8364]
_cell_length_c [9.3434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(Hg2Pd)2]
_chemical_formula_sum '[K6 Hg8 Pd4]'
_cell_volume [555.3934]
_cell_formula_units_Z [2]
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  4  0.1051  0.5000  0.6926  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1050  0.0000  0.3692  1.0
  Hg  Hg3  4  0.2108  0.5000  0.1066  1.0
  Pd  Pd4  4  0.2158  0.5000  0.4074  1.0
]