data_[Ti10Zn10]
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 [Cmmm]
_cell_length_a [4.3781]
_cell_length_b [16.1748]
_cell_length_c [4.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TiZn]
_chemical_formula_sum '[Ti10 Zn10]'
_cell_volume [309.2834]
_cell_formula_units_Z [10]
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  0.0000  0.1964  0.0000  1
  Ti  Ti1  4  0.0000  0.3011  0.5000  1
  Ti  Ti2  2  0.0000  0.5000  0.5000  1
  Zn  Zn3  4  0.0000  0.0962  0.5000  1
  Zn  Zn4  4  0.0000  0.4048  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
]