data_[Cd2In2Sn1Hg6]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4152]
_cell_length_b [7.3214]
_cell_length_c [7.4709]
_cell_angle_alpha [65.6264]
_cell_angle_beta [74.6637]
_cell_angle_gamma [65.8472]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2In2SnHg6]
_chemical_formula_sum '[Cd2 In2 Sn1 Hg6]'
_cell_volume [289.7063]
_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  0.2645  0.9826  0.4841  1
  In  In1  2  0.2965  0.8792  0.0924  1
  Sn  Sn2  1  0.5000  0.5000  0.5000  1
  Hg  Hg3  2  0.0666  0.6873  0.8377  1
  Hg  Hg4  2  0.1208  0.2901  0.7024  1
  Hg  Hg5  2  0.3891  0.3629  0.1918  1
]