data_[Hf24Zr16Tl8]
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 [Fmmm]
_cell_length_a [6.1730]
_cell_length_b [10.0444]
_cell_length_c [17.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Hf3Zr2Tl]
_chemical_formula_sum '[Hf24 Zr16 Tl8]'
_cell_volume [1098.5088]
_cell_formula_units_Z [8]
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  16  0.0000  0.2363  0.4159  1.0
  Hf  Hf1  8  0.0000  0.0000  0.1566  1.0
  Zr  Zr2  8  0.2338  0.0000  0.0000  1.0
  Zr  Zr3  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl4  8  0.0000  0.0000  0.3214  1.0
]