data_[K4Hg12Pd4]
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 [P2_1/c]
_cell_length_a [9.7604]
_cell_length_b [5.3438]
_cell_length_c [11.3245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KHg3Pd]
_chemical_formula_sum '[K4 Hg12 Pd4]'
_cell_volume [548.0498]
_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  4  0.3534  0.0002  0.8121  1.0
  Hg  Hg1  4  0.0074  0.2254  0.8322  1.0
  Hg  Hg2  4  0.2548  0.0197  0.1018  1.0
  Hg  Hg3  4  0.3252  0.5161  0.9942  1.0
  Pd  Pd4  4  0.0189  0.7187  0.9245  1.0
]