data_[Hf12Tl4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6728]
_cell_length_b [6.6561]
_cell_length_c [14.1017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf6Tl2Zn]
_chemical_formula_sum '[Hf12 Tl4 Zn2]'
_cell_volume [438.5936]
_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  8  0.0000  0.2394  0.8414  1
  Hf  Hf1  4  0.0000  0.2665  0.5000  1
  Tl  Tl2  4  0.0000  0.0000  0.3328  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
]