data_[Hf4Tl4Ag4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8209]
_cell_length_b [3.1737]
_cell_length_c [8.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfTlAg]
_chemical_formula_sum '[Hf4 Tl4 Ag4]'
_cell_volume [263.6233]
_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  2  0.1206  0.0000  0.5493  1
  Hf  Hf1  2  0.3355  0.5000  0.8837  1
  Tl  Tl2  2  0.0505  0.5000  0.8193  1
  Tl  Tl3  2  0.3364  0.0000  0.2192  1
  Ag  Ag4  2  0.0764  0.5000  0.1897  1
  Ag  Ag5  2  0.3257  0.5000  0.5172  1
]