data_[Sc6Ag2Hg4]
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 [P-3m1]
_cell_length_a [4.9348]
_cell_length_b [4.9348]
_cell_length_c [12.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sc3AgHg2]
_chemical_formula_sum '[Sc6 Ag2 Hg4]'
_cell_volume [255.2450]
_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  2  0.0000  0.0000  0.2530  1
  Sc  Sc1  2  0.3333  0.6667  0.4186  1
  Sc  Sc2  2  0.3333  0.6667  0.9153  1
  Ag  Ag3  2  0.3333  0.6667  0.6676  1
  Hg  Hg4  2  0.3333  0.6667  0.1723  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
  Hg  Hg6  1  0.0000  0.0000  0.5000  1
]