data_[K2Hg2Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9109]
_cell_length_b [7.2089]
_cell_length_c [7.1067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KHgPb3]
_chemical_formula_sum '[K2 Hg2 Pb6]'
_cell_volume [354.0573]
_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  2  0.0000  0.2404  0.9823  1.0
  Hg  Hg1  2  0.0000  0.9195  0.6267  1.0
  Pb  Pb2  4  0.2477  0.7461  0.9676  1.0
  Pb  Pb3  2  0.0000  0.6143  0.3345  1.0
]