data_[K4Ba2Hg2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0827]
_cell_length_b [10.0119]
_cell_length_c [8.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [K2BaHgSb2]
_chemical_formula_sum '[K4 Ba2 Hg2 Sb4]'
_cell_volume [445.4874]
_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  0.1640  0.6477  1.0
  K  K1  2  0.5000  0.0834  0.9783  1.0
  Ba  Ba2  2  0.0000  0.4535  0.0068  1.0
  Hg  Hg3  2  0.5000  0.3224  0.3393  1.0
  Sb  Sb4  2  0.0000  0.1765  0.2603  1.0
  Sb  Sb5  2  0.5000  0.3862  0.7220  1.0
]