data_[Ta6O15]
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 [P1]
_cell_length_a [6.9247]
_cell_length_b [7.1530]
_cell_length_c [7.2836]
_cell_angle_alpha [62.3401]
_cell_angle_beta [89.1670]
_cell_angle_gamma [62.7742]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta2O5]
_chemical_formula_sum '[Ta6 O15]'
_cell_volume [275.0299]
_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  1  0.2316  0.5353  0.9707  1
  Ta  Ta1  1  0.2565  0.0279  0.0348  1
  Ta  Ta2  1  0.2696  0.9836  0.5199  1
  Ta  Ta3  1  0.7047  0.0122  0.4460  1
  Ta  Ta4  1  0.7504  0.9917  0.9597  1
  Ta  Ta5  1  0.7734  0.4722  0.0213  1
  O  O6  1  0.0633  0.8178  0.8948  1
  O  O7  1  0.1430  0.3374  0.0373  1
  O  O8  1  0.1987  0.3199  0.6861  1
  O  O9  1  0.3082  0.6927  0.2893  1
  O  O10  1  0.3181  0.9264  0.7626  1
  O  O11  1  0.3686  0.0689  0.3495  1
  O  O12  1  0.4569  0.6774  0.9885  1
  O  O13  1  0.5574  0.3219  0.0118  1
  O  O14  1  0.5771  0.0574  0.1613  1
  O  O15  1  0.6305  0.9342  0.6594  1
  O  O16  1  0.7393  0.2692  0.7166  1
  O  O17  1  0.8222  0.6888  0.3273  1
  O  O18  1  0.8569  0.6762  0.9605  1
  O  O19  1  0.9473  0.1960  0.1137  1
  O  O20  1  0.9541  0.0351  0.4096  1
]