data_[Ti8Zn4O20]
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 [Cmcm]
_cell_length_a [3.6725]
_cell_length_b [10.1858]
_cell_length_c [11.7707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti2ZnO5]
_chemical_formula_sum '[Ti8 Zn4 O20]'
_cell_volume [440.3059]
_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  8  0.0000  0.2099  0.5994  1.0
  Zn  Zn1  4  0.0000  0.0881  0.2500  1.0
  O  O2  8  0.0000  0.0469  0.6306  1.0
  O  O3  8  0.0000  0.2334  0.0729  1.0
  O  O4  4  0.0000  0.3052  0.7500  1.0
]