data_[Ti6V10O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1843]
_cell_length_b [5.9628]
_cell_length_c [9.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ti3V5O16]
_chemical_formula_sum '[Ti6 V10 O32]'
_cell_volume [548.3518]
_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  0.0892  0.2480  0.2093  1
  Ti  Ti1  2  0.1635  0.0000  0.7052  1
  V  V2  4  0.4136  0.2488  0.7119  1
  V  V3  2  0.1659  0.5000  0.4858  1
  V  V4  2  0.3345  0.5000  0.2086  1
  V  V5  2  0.3403  0.0000  0.9856  1
  O  O6  4  0.0786  0.2549  0.6050  1
  O  O7  4  0.2424  0.2898  0.3389  1
  O  O8  4  0.2645  0.2126  0.8390  1
  O  O9  4  0.4151  0.2425  0.1045  1
  O  O10  2  0.0046  0.0000  0.3121  1
  O  O11  2  0.0276  0.5000  0.3431  1
  O  O12  2  0.1663  0.5000  0.0979  1
  O  O13  2  0.1734  0.0000  0.1033  1
  O  O14  2  0.3205  0.5000  0.6053  1
  O  O15  2  0.3292  0.0000  0.5996  1
  O  O16  2  0.4775  0.0000  0.8385  1
  O  O17  2  0.4984  0.5000  0.8133  1
]