data_[Hf12Zr4Tl2]
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 [C2/m]
_cell_length_a [15.5365]
_cell_length_b [3.1342]
_cell_length_c [10.6751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6Zr2Tl]
_chemical_formula_sum '[Hf12 Zr4 Tl2]'
_cell_volume [418.1925]
_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  4  0.0546  0.0000  0.7546  1.0
  Hf  Hf1  4  0.1159  0.5000  0.5485  1.0
  Hf  Hf2  4  0.2354  0.0000  0.1086  1.0
  Zr  Zr3  4  0.1741  0.5000  0.3312  1.0
  Tl  Tl4  2  0.0000  0.0000  0.0000  1.0
]