data_[Ti4Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0831]
_cell_length_b [5.0831]
_cell_length_c [8.1713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [TiZn2]
_chemical_formula_sum '[Ti4 Zn8]'
_cell_volume [182.8429]
_cell_formula_units_Z [4]
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
[
  Ti  Ti0  4  0.3333  0.6667  0.4329  1.0
  Zn  Zn1  6  0.1718  0.3437  0.7500  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
]