data_[Y24Si9Hg3Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4812]
_cell_length_b [8.4812]
_cell_length_c [21.4450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8Si3HgTe4]
_chemical_formula_sum '[Y24 Si9 Hg3 Te12]'
_cell_volume [1335.8819]
_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
[
  Y  Y0  18  0.0140  0.5070  0.7574  1.0
  Y  Y1  6  0.0000  0.0000  0.2386  1.0
  Si  Si2  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te4  9  0.0000  0.5000  0.0000  1.0
  Te  Te5  3  0.0000  0.0000  0.0000  1.0
]