data_[Cd2In2Hg1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [7.6017]
_cell_length_b [7.6182]
_cell_length_c [8.0590]
_cell_angle_alpha [85.5784]
_cell_angle_beta [81.0725]
_cell_angle_gamma [71.1944]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2In2HgBr6]
_chemical_formula_sum '[Cd2 In2 Hg1 Br6]'
_cell_volume [436.2588]
_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
[
  Cd  Cd0  2  0.0444  0.2468  0.9044  1.0
  In  In1  2  0.4935  0.1907  0.2503  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  Br  Br3  2  0.1978  0.1525  0.5973  1.0
  Br  Br4  2  0.2259  0.9719  0.1060  1.0
  Br  Br5  2  0.2531  0.4897  0.9569  1.0
]