data_[Cd2Ga2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8720]
_cell_length_b [8.6046]
_cell_length_c [8.6869]
_cell_angle_alpha [61.1499]
_cell_angle_beta [88.8555]
_cell_angle_gamma [73.0908]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2Ga2HgI6]
_chemical_formula_sum '[Cd2 Ga2 Hg1 I6]'
_cell_volume [487.9854]
_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  0.1368  0.7725  0.9967  1.0
  Ga  Ga1  2  0.2516  0.8036  0.4428  1.0
  Hg  Hg2  1  0.5000  0.0000  0.5000  1.0
  I  I3  2  0.0113  0.2725  0.2607  1.0
  I  I4  2  0.1175  0.1692  0.7758  1.0
  I  I5  2  0.4608  0.5871  0.2173  1.0
]