data_[Ti2Al10Zn4]
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 [C2/m]
_cell_length_a [17.1179]
_cell_length_b [3.8974]
_cell_length_c [3.9415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiAl5Zn2]
_chemical_formula_sum '[Ti2 Al10 Zn4]'
_cell_volume [261.5200]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  4  0.1207  0.5000  0.0658  1.0
  Al  Al2  4  0.1220  0.0000  0.5633  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn4  4  0.2423  0.5000  0.7214  1.0
]