data_[K4Zn2Sn2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.1898]
_cell_length_b [9.0697]
_cell_length_c [8.7999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K2ZnSnHg6]
_chemical_formula_sum '[K4 Zn2 Sn2 Hg12]'
_cell_volume [653.6476]
_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  0.0000  0.2316  0.2536  1.0
  Zn  Zn1  2  0.0000  0.0000  0.9286  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5669  1.0
  Hg  Hg3  4  0.0000  0.2560  0.7794  1.0
  Hg  Hg4  4  0.1848  0.0000  0.5949  1.0
  Hg  Hg5  4  0.1878  0.5000  0.9699  1.0
]