data_[Ti6Zn4O16]
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 [C2/m]
_cell_length_a [10.4981]
_cell_length_b [5.9912]
_cell_length_c [5.0170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3Zn2O8]
_chemical_formula_sum '[Ti6 Zn4 O16]'
_cell_volume [291.6355]
_cell_formula_units_Z [2]
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  0.2670  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  4  0.2150  0.5000  0.6519  1.0
  O  O3  8  0.1140  0.2270  0.4100  1.0
  O  O4  4  0.1053  0.5000  0.9267  1.0
  O  O5  4  0.1077  0.0000  0.9215  1.0
]