data_[Sc4Cd8In4Hg20]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7989]
_cell_length_b [15.6675]
_cell_length_c [12.0128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ScCd2InHg5]
_chemical_formula_sum '[Sc4 Cd8 In4 Hg20]'
_cell_volume [903.2021]
_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  0.4323  0.4497  1.0
  Cd  Cd1  4  0.0000  0.0765  0.3283  1.0
  Cd  Cd2  4  0.0000  0.1243  0.7728  1.0
  In  In3  4  0.0000  0.1959  0.0175  1.0
  Hg  Hg4  4  0.0000  0.0011  0.5627  1.0
  Hg  Hg5  4  0.0000  0.2641  0.3230  1.0
  Hg  Hg6  4  0.0000  0.3086  0.6680  1.0
  Hg  Hg7  4  0.0000  0.3752  0.9869  1.0
  Hg  Hg8  4  0.0000  0.4893  0.2150  1.0
]