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 [Cm]
_cell_length_a [13.3141]
_cell_length_b [6.9001]
_cell_length_c [6.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KHg3Pd]
_chemical_formula_sum '[K4 Hg12 Pd4]'
_cell_volume [585.6534]
_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  2  0.0438  0.0000  0.6628  1.0
  K  K1  2  0.3074  0.0000  0.2757  1.0
  Hg  Hg2  4  0.0527  0.2687  0.1423  1.0
  Hg  Hg3  4  0.3079  0.2233  0.7929  1.0
  Hg  Hg4  2  0.0650  0.5000  0.5832  1.0
  Hg  Hg5  2  0.2827  0.5000  0.4119  1.0
  Pd  Pd6  2  0.1899  0.5000  0.9814  1.0
  Pd  Pd7  2  0.3998  0.5000  0.1039  1.0
]