data_[K12Hg12Pd8]
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 [Cmcm]
_cell_length_a [5.0124]
_cell_length_b [12.2569]
_cell_length_c [16.6625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Hg3Pd2]
_chemical_formula_sum '[K12 Hg12 Pd8]'
_cell_volume [1023.6801]
_cell_formula_units_Z [4]
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  8  0.0000  0.0693  0.6015  1.0
  K  K1  4  0.0000  0.3781  0.7500  1.0
  Hg  Hg2  8  0.0000  0.3377  0.5442  1.0
  Hg  Hg3  4  0.0000  0.3191  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2170  0.1031  1.0
]