data_[K6In2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.5101]
_cell_length_b [8.5614]
_cell_length_c [10.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [K3InHg4]
_chemical_formula_sum '[K6 In2 Hg8]'
_cell_volume [585.0902]
_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  0.2304  0.4273  1
  K  K1  2  0.0000  0.0000  0.0584  1
  In  In2  2  0.0000  0.5000  0.9877  1
  Hg  Hg3  4  0.0000  0.3071  0.7544  1
  Hg  Hg4  4  0.2450  0.0000  0.7198  1
]