data_[Dy3Sc6Ag3Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [R-3m]
_cell_length_a [4.9763]
_cell_length_b [4.9763]
_cell_length_c [25.2268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [DySc2AgHg4]
_chemical_formula_sum '[Dy3 Sc6 Ag3 Hg12]'
_cell_volume [541.0043]
_cell_formula_units_Z [3]
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
[
  Dy  Dy0  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  6  0.0000  0.0000  0.2422  1.0
  Ag  Ag2  3  -0.0000  -0.0000  0.5000  1.0
  Hg  Hg3  6  0.0000  0.0000  0.1241  1.0
  Hg  Hg4  6  0.0000  0.0000  0.3789  1.0
]