data_[K1In1Hg2Br8]
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 [P-1]
_cell_length_a [6.9064]
_cell_length_b [7.7253]
_cell_length_c [9.3743]
_cell_angle_alpha [111.0831]
_cell_angle_beta [92.0746]
_cell_angle_gamma [96.8898]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KIn(HgBr4)2]
_chemical_formula_sum '[K1 In1 Hg2 Br8]'
_cell_volume [461.5973]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  In  In1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.4636  0.2675  0.2926  1
  Br  Br3  2  0.1449  0.7799  0.7306  1
  Br  Br4  2  0.2129  0.8686  0.1660  1
  Br  Br5  2  0.3002  0.2949  0.0486  1
  Br  Br6  2  0.4272  0.2906  0.5720  1
]