data_[Hf4Nb2Tl2]
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 [Cm]
_cell_length_a [5.1653]
_cell_length_b [3.5975]
_cell_length_c [9.5341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hf2NbTl]
_chemical_formula_sum '[Hf4 Nb2 Tl2]'
_cell_volume [175.9037]
_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  0.2890  0.0000  0.1553  1.0
  Hf  Hf1  2  0.3754  0.0000  0.6158  1.0
  Nb  Nb2  2  0.4070  0.5000  0.3863  1.0
  Tl  Tl3  2  0.3294  0.5000  0.8855  1.0
]