data_[K4Hg2As2Br12]
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
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.9435]
_cell_length_b [7.9435]
_cell_length_c [11.1672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [K2HgAsBr6]
_chemical_formula_sum '[K4 Hg2 As2 Br12]'
_cell_volume [704.6469]
_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  0.5000  0.2938  1.0
  Hg  Hg1  2  0.0000  0.0000  0.4912  1.0
  As  As2  2  0.0000  0.0000  0.9899  1.0
  Br  Br3  8  0.2373  0.2373  0.9862  1.0
  Br  Br4  2  0.0000  0.0000  0.2281  1.0
  Br  Br5  2  0.0000  0.0000  0.7493  1.0
]