data_[Sc4Cd20Hg4]
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 [C2/c]
_cell_length_a [10.6574]
_cell_length_b [6.1290]
_cell_length_c [10.6311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScCd5Hg]
_chemical_formula_sum '[Sc4 Cd20 Hg4]'
_cell_volume [677.1880]
_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  4  0.0000  0.2989  0.7500  1.0
  Cd  Cd1  8  0.1476  0.4697  0.0302  1.0
  Cd  Cd2  8  0.2421  0.0596  0.6921  1.0
  Cd  Cd3  4  0.0000  0.2080  0.2500  1.0
  Hg  Hg4  4  0.0000  0.0000  0.0000  1.0
]