data_[Ta18O18]
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 [Cm]
_cell_length_a [7.5952]
_cell_length_b [13.4855]
_cell_length_c [19.8110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaO]
_chemical_formula_sum '[Ta18 O18]'
_cell_volume [2029.1497]
_cell_formula_units_Z [18]
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  4  0.0152  0.2207  0.5599  1
  Ta  Ta1  4  0.0157  0.1960  0.3941  1
  Ta  Ta2  4  0.2300  0.3509  0.4636  1
  Ta  Ta3  4  0.2997  0.8498  0.4637  1
  Ta  Ta4  2  0.0061  0.0000  0.5089  1
  O  O5  4  0.0132  0.3439  0.4006  1
  O  O6  4  0.0166  0.2831  0.6370  1
  O  O7  4  0.1793  0.0986  0.5489  1
  O  O8  4  0.3462  0.3951  0.5530  1
  O  O9  2  0.2625  0.5000  0.4495  1
]