data_[K4In4Hg4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6357]
_cell_length_b [7.9686]
_cell_length_c [8.1946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KInHgBr4]
_chemical_formula_sum '[K4 In4 Hg4 Br16]'
_cell_volume [1221.3172]
_cell_formula_units_Z [4]
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  0.2121  0.5000  0.7568  1
  In  In1  4  0.1597  0.5000  0.2196  1
  Hg  Hg2  4  0.0160  0.0000  0.2994  1
  Br  Br3  8  0.1457  0.2477  0.0195  1
  Br  Br4  4  0.0738  0.5000  0.3946  1
  Br  Br5  4  0.2129  0.0000  0.5719  1
]