data_[Hf4Ag2Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1628]
_cell_length_b [12.9868]
_cell_length_c [8.2534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ag(HgTe3)2]
_chemical_formula_sum '[Hf4 Ag2 Hg4 Te12]'
_cell_volume [736.2304]
_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
[
  Hf  Hf0  4  0.0000  0.3578  0.5000  1
  Ag  Ag1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  4  0.0000  0.3001  0.0000  1
  Te  Te3  8  0.2049  0.1751  0.6860  1
  Te  Te4  4  0.2119  0.5000  0.7391  1
]