data_[Hf3Zr3Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4657]
_cell_length_b [4.4873]
_cell_length_c [8.9014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Hf3Zr3Tl2]
_chemical_formula_sum '[Hf3 Zr3 Tl2]'
_cell_volume [178.3743]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.2471  1.0
  Hf  Hf1  1  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  1  0.5000  0.0000  0.0000  1.0
  Zr  Zr4  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl5  2  0.0000  0.0000  0.2497  1.0
]