data_[Cd4In20Sn4Hg8]
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 [Cmc2_1]
_cell_length_a [4.6466]
_cell_length_b [14.8941]
_cell_length_c [14.0219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdIn5SnHg2]
_chemical_formula_sum '[Cd4 In20 Sn4 Hg8]'
_cell_volume [970.4165]
_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  0.0000  0.2468  0.9248  1.0
  In  In1  4  0.0000  0.0772  0.0911  1.0
  In  In2  4  0.0000  0.2453  0.2604  1.0
  In  In3  4  0.0000  0.2540  0.5912  1.0
  In  In4  4  0.0000  0.4121  0.0891  1.0
  In  In5  4  0.0000  0.4212  0.7634  1.0
  Sn  Sn6  4  0.0000  0.4108  0.4218  1.0
  Hg  Hg7  4  0.0000  0.0863  0.7563  1.0
  Hg  Hg8  4  0.0000  0.0882  0.4259  1.0
]