data_[Cd4In4Sn8Hg16]
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 [Imma]
_cell_length_a [7.3361]
_cell_length_b [9.8022]
_cell_length_c [12.3374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CdIn(SnHg2)2]
_chemical_formula_sum '[Cd4 In4 Sn8 Hg16]'
_cell_volume [887.1829]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.7500  1.0
  In  In1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  4  0.2500  0.2500  0.2500  1.0
  Hg  Hg4  8  0.0000  0.0058  0.7495  1.0
  Hg  Hg5  8  0.2483  0.2500  0.5005  1.0
]