data_[Ti16Al4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [10.0759]
_cell_length_b [14.4524]
_cell_length_c [2.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ti4AlZn]
_chemical_formula_sum '[Ti16 Al4 Zn4]'
_cell_volume [392.5189]
_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  0.0024  0.2497  0.5000  1
  Ti  Ti1  4  0.1235  0.9277  0.5000  1
  Ti  Ti2  4  0.1239  0.5686  0.5000  1
  Ti  Ti3  4  0.2494  0.7485  0.5000  1
  Al  Al4  4  0.1264  0.0998  0.0000  1
  Zn  Zn5  4  0.1264  0.3985  0.0000  1
]