data_[Ti4Sb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6747]
_cell_length_b [3.9790]
_cell_length_c [7.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiSbO4]
_chemical_formula_sum '[Ti4 Sb4 O16]'
_cell_volume [337.4095]
_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  0.0979  0.0000  0.7069  1
  Sb  Sb1  4  0.1924  0.0000  0.2663  1
  O  O2  4  0.0570  0.0000  0.3839  1
  O  O3  4  0.1197  0.0000  0.9755  1
  O  O4  4  0.1358  0.5000  0.7063  1
  O  O5  4  0.2344  0.5000  0.3208  1
]