data_[Sc2Ag3Hg4]
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 [4.8291]
_cell_length_b [4.8291]
_cell_length_c [9.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sc2Ag3Hg4]
_chemical_formula_sum '[Sc2 Ag3 Hg4]'
_cell_volume [183.3693]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.7735  1
  Ag  Ag1  2  0.3333  0.6667  0.4369  1
  Ag  Ag2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.3381  1
  Hg  Hg4  2  0.3333  0.6667  0.1053  1
]