data_[Hf4Hg4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8657]
_cell_length_b [13.2993]
_cell_length_c [7.3723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfHgTe4]
_chemical_formula_sum '[Hf4 Hg4 Te16]'
_cell_volume [804.9779]
_cell_formula_units_Z [4]
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  0.0008  0.7500  1
  Hg  Hg1  4  0.0000  0.3999  0.7500  1
  Te  Te2  8  0.0674  0.1729  0.0295  1
  Te  Te3  8  0.2457  0.0874  0.6116  1
]