data_[Sc6Ag4Hg4]
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 [9.0537]
_cell_length_b [4.6656]
_cell_length_c [7.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(AgHg)2]
_chemical_formula_sum '[Sc6 Ag4 Hg4]'
_cell_volume [291.9664]
_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  0.1007  0.5000  0.7239  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.1273  0.0000  0.4213  1
  Hg  Hg3  4  0.1942  0.5000  0.1699  1
]