data_[Cd20Sn4Hg4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0852]
_cell_length_b [8.0791]
_cell_length_c [7.8547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd5SnHg]
_chemical_formula_sum '[Cd20 Sn4 Hg4]'
_cell_volume [720.6472]
_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  8  0.1140  0.4570  0.6286  1.0
  Cd  Cd1  8  0.1894  0.1070  0.5687  1.0
  Cd  Cd2  4  0.0000  0.1360  0.7500  1.0
  Sn  Sn3  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg4  4  0.0000  0.2427  0.2500  1.0
]