data_[Ti8Zn4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4867]
_cell_length_b [2.9529]
_cell_length_c [10.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ti2ZnO4]
_chemical_formula_sum '[Ti8 Zn4 O16]'
_cell_volume [300.1648]
_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  0.0633  0.2500  0.6218  1
  Ti  Ti1  4  0.0876  0.2500  0.0957  1
  Zn  Zn2  4  0.2417  0.7500  0.3573  1
  O  O3  4  0.0423  0.7500  0.2185  1
  O  O4  4  0.0819  0.2500  0.4295  1
  O  O5  4  0.1156  0.7500  0.9631  1
  O  O6  4  0.2041  0.7500  0.6353  1
]