data_[Cs2In2Hg1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.5880]
_cell_length_b [7.9348]
_cell_length_c [10.1171]
_cell_angle_alpha [68.7354]
_cell_angle_beta [73.6847]
_cell_angle_gamma [70.4160]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2In2HgBr6]
_chemical_formula_sum '[Cs2 In2 Hg1 Br6]'
_cell_volume [525.9506]
_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
[
  Cs  Cs0  2  0.2157  0.3464  0.2673  1.0
  In  In1  2  0.1215  0.9799  0.8708  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  Br  Br3  2  0.0473  0.8202  0.3526  1.0
  Br  Br4  2  0.2300  0.6321  0.8608  1.0
  Br  Br5  2  0.4371  0.0742  0.7958  1.0
]