data_[Hf4Nb4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8660]
_cell_length_b [3.5597]
_cell_length_c [10.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfNbTl2]
_chemical_formula_sum '[Hf4 Nb4 Tl8]'
_cell_volume [364.5885]
_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  0.0258  0.0000  0.2610  1
  Nb  Nb1  4  0.2495  0.0000  0.6005  1
  Tl  Tl2  4  0.2265  0.5000  0.8394  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
]