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 [P2]
_cell_length_a [5.0478]
_cell_length_b [6.7429]
_cell_length_c [5.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Hf2NbTl]
_chemical_formula_sum '[Hf4 Nb2 Tl2]'
_cell_volume [170.2361]
_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  1  0.0000  0.5459  0.5000  1
  Hf  Hf1  1  0.5000  0.0631  0.0000  1
  Hf  Hf2  1  0.5000  0.2998  0.5000  1
  Hf  Hf3  1  0.5000  0.5471  0.0000  1
  Nb  Nb4  1  0.0000  0.0697  0.5000  1
  Nb  Nb5  1  0.0000  0.3021  0.0000  1
  Tl  Tl6  1  0.0000  0.8097  0.0000  1
  Tl  Tl7  1  0.5000  0.8092  0.5000  1
]