data_[Sc20Cd8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6511]
_cell_length_b [7.8688]
_cell_length_c [6.8856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc5(CdHg)2]
_chemical_formula_sum '[Sc20 Cd8 Hg8]'
_cell_volume [847.9877]
_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
[
  Sc  Sc0  16  0.1381  0.1890  0.3301  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  8  0.2156  0.0000  0.0000  1
  Hg  Hg3  8  0.0000  0.1468  0.6194  1
]