data_[Hf2Ag2Hg2Te6]
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 [P2_1/m]
_cell_length_a [9.5862]
_cell_length_b [3.9699]
_cell_length_c [10.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfAgHgTe3]
_chemical_formula_sum '[Hf2 Ag2 Hg2 Te6]'
_cell_volume [372.3484]
_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  2  0.3107  0.7500  0.8361  1.0
  Ag  Ag1  2  0.0740  0.2500  0.6075  1.0
  Hg  Hg2  2  0.2289  0.2500  0.2538  1.0
  Te  Te3  2  0.1181  0.2500  0.8803  1.0
  Te  Te4  2  0.2510  0.7500  0.5500  1.0
  Te  Te5  2  0.4568  0.7500  0.1388  1.0
]