data_[Sc20Ag4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1254]
_cell_length_b [8.5767]
_cell_length_c [9.5566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5AgHg]
_chemical_formula_sum '[Sc20 Ag4 Hg4]'
_cell_volume [658.5139]
_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  8  0.1456  0.3830  0.0088  1
  Sc  Sc1  8  0.1879  0.1849  0.3206  1
  Sc  Sc2  4  0.0000  0.1621  0.7500  1
  Ag  Ag3  4  0.0000  0.4831  0.2500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]