data_[Ti16Zn4O24]
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 [2.9506]
_cell_length_b [9.8845]
_cell_length_c [15.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti4ZnO6]
_chemical_formula_sum '[Ti16 Zn4 O24]'
_cell_volume [440.4474]
_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  0.1466  0.5397  1
  Ti  Ti1  8  0.0000  0.4013  0.6297  1
  Zn  Zn2  4  0.0000  0.3431  0.2500  1
  O  O3  8  0.0000  0.0418  0.6594  1
  O  O4  8  0.0000  0.2341  0.0939  1
  O  O5  4  0.0000  0.3096  0.7500  1
  O  O6  4  0.0000  0.5000  0.0000  1
]