data_[Sc4Cd10Hg24]
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/m]
_cell_length_a [14.6891]
_cell_length_b [9.5889]
_cell_length_c [6.6170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Cd5Hg12]
_chemical_formula_sum '[Sc4 Cd10 Hg24]'
_cell_volume [931.7098]
_cell_formula_units_Z [2]
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  0.2655  0.0000  1.0
  Cd  Cd1  4  0.1667  0.5000  0.8914  1.0
  Cd  Cd2  4  0.2356  0.0000  0.5139  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.1077  0.2436  0.6361  1.0
  Hg  Hg5  8  0.1905  0.2666  0.2049  1.0
  Hg  Hg6  4  0.0402  0.5000  0.2892  1.0
  Hg  Hg7  4  0.1062  0.0000  0.0606  1.0
]