data_[Cd4In4Sn4Hg16]
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 [C2/m]
_cell_length_a [13.7170]
_cell_length_b [6.3822]
_cell_length_c [9.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdInSnHg4]
_chemical_formula_sum '[Cd4 In4 Sn4 Hg16]'
_cell_volume [768.1750]
_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  0.2464  0.0000  0.0059  1.0
  In  In1  4  0.1605  0.5000  0.5539  1.0
  Sn  Sn2  4  0.0958  0.0000  0.1537  1.0
  Hg  Hg3  8  0.0527  0.2522  0.7365  1.0
  Hg  Hg4  4  0.1127  0.5000  0.1558  1.0
  Hg  Hg5  4  0.1568  0.0000  0.5462  1.0
]