data_[Ta6O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.2848]
_cell_length_b [7.2848]
_cell_length_c [18.3247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ta2O3]
_chemical_formula_sum '[Ta6 O9]'
_cell_volume [842.1703]
_cell_formula_units_Z [3]
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
[
  Ta  Ta0  3  0.0000  0.7831  0.4525  1
  Ta  Ta1  2  0.3333  0.6667  0.5245  1
  Ta  Ta2  1  0.0000  0.0000  0.5622  1
  O  O3  6  0.1835  0.8049  0.5505  1
  O  O4  2  0.3333  0.6667  0.4238  1
  O  O5  1  0.0000  0.0000  0.3808  1
]