data_[K2Hg2I2Br4]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9726]
_cell_length_b [6.4270]
_cell_length_c [8.7494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHgIBr2]
_chemical_formula_sum '[K2 Hg2 I2 Br4]'
_cell_volume [445.8451]
_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  0.2460  0.7500  0.6352  1.0
  Hg  Hg1  2  0.1045  0.7500  0.1547  1.0
  I  I2  2  0.4349  0.7500  0.2696  1.0
  Br  Br3  2  0.0594  0.2500  0.1226  1.0
  Br  Br4  2  0.1080  0.2500  0.6228  1.0
]