data_[Sc10Ag4Hg24]
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/m]
_cell_length_a [13.7892]
_cell_length_b [8.6645]
_cell_length_c [7.1995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5(AgHg6)2]
_chemical_formula_sum '[Sc10 Ag4 Hg24]'
_cell_volume [859.5752]
_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  0.1758  0.5000  0.0522  1.0
  Sc  Sc1  4  0.2495  0.0000  0.4402  1.0
  Sc  Sc2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.0000  0.2745  0.0000  1.0
  Hg  Hg4  8  0.1174  0.2734  0.3583  1.0
  Hg  Hg5  8  0.1695  0.1990  0.7664  1.0
  Hg  Hg6  4  0.0470  0.5000  0.7108  1.0
  Hg  Hg7  4  0.1160  0.0000  0.0991  1.0
]