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 [Pmmn]
_cell_length_a [5.8672]
_cell_length_b [10.5748]
_cell_length_c [5.0359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ti2ZnO4]
_chemical_formula_sum '[Ti8 Zn4 O16]'
_cell_volume [312.4478]
_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  0.0000  0.2613  0.9698  1
  Ti  Ti1  4  0.2500  0.2500  0.5000  1
  Zn  Zn2  2  0.0000  0.0000  0.0357  1
  Zn  Zn3  2  0.0000  0.5000  0.3445  1
  O  O4  8  0.2489  0.3650  0.1609  1
  O  O5  4  0.0000  0.1503  0.3147  1
  O  O6  4  0.0000  0.3656  0.6376  1
]