data_[K4In4Hg2Br12]
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 [17.6867]
_cell_length_b [8.1640]
_cell_length_c [9.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2In2HgBr6]
_chemical_formula_sum '[K4 In4 Hg2 Br12]'
_cell_volume [1196.2443]
_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  0.1617  0.0000  0.7986  1.0
  In  In1  4  0.0828  0.0000  0.1315  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.1746  0.2418  0.1154  1.0
  Br  Br4  4  0.0706  0.0000  0.3960  1.0
]