data_[Sc4Cd12Hg12]
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 [Cmmm]
_cell_length_a [8.8759]
_cell_length_b [9.6602]
_cell_length_c [7.8210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc(CdHg)3]
_chemical_formula_sum '[Sc4 Cd12 Hg12]'
_cell_volume [670.5984]
_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  0.2126  0.0000  1
  Cd  Cd1  4  0.0000  0.2521  0.5000  1
  Cd  Cd2  4  0.1739  0.5000  0.0000  1
  Cd  Cd3  4  0.1979  0.5000  0.5000  1
  Hg  Hg4  8  0.2500  0.2500  0.2449  1
  Hg  Hg5  4  0.0000  0.0000  0.2672  1
]