data_[Cd1Sn1Hg2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3244]
_cell_length_b [7.4863]
_cell_length_c [7.6283]
_cell_angle_alpha [62.1283]
_cell_angle_beta [78.4325]
_cell_angle_gamma [70.4126]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdSn(HgI2)2]
_chemical_formula_sum '[Cd1 Sn1 Hg2 I4]'
_cell_volume [347.8784]
_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  1  0.2656  0.7239  0.2414  1
  Sn  Sn1  1  0.8914  0.5215  0.9089  1
  Hg  Hg2  1  0.6553  0.9800  0.6381  1
  Hg  Hg3  1  0.6723  0.2616  0.8433  1
  I  I4  1  0.0746  0.1125  0.2621  1
  I  I5  1  0.1833  0.3850  0.5919  1
  I  I6  1  0.2024  0.7298  0.8847  1
  I  I7  1  0.6681  0.6728  0.2424  1
]