data_[Na2Hf2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3291]
_cell_length_b [3.3291]
_cell_length_c [16.1409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaHfTl]
_chemical_formula_sum '[Na2 Hf2 Tl2]'
_cell_volume [154.9255]
_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
[
  Na  Na0  1  0.0000  0.0000  0.4187  1
  Na  Na1  1  0.3333  0.6667  0.6109  1
  Hf  Hf2  1  0.0000  0.0000  0.0885  1
  Hf  Hf3  1  0.3333  0.6667  0.9431  1
  Tl  Tl4  1  0.0000  0.0000  0.7799  1
  Tl  Tl5  1  0.6667  0.3333  0.2507  1
]