data_[Hf2Tl4Ag4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1757]
_cell_length_b [4.3047]
_cell_length_c [8.4331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTl2(AgTe2)2]
_chemical_formula_sum '[Hf2 Tl4 Ag4 Te8]'
_cell_volume [547.0129]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1381  0.0000  0.5925  1.0
  Ag  Ag2  4  0.1846  0.5000  0.9775  1.0
  Te  Te3  4  0.0058  0.5000  0.7636  1.0
  Te  Te4  4  0.1919  0.0000  0.2083  1.0
]