data_[Ta8N8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1798]
_cell_length_b [3.8914]
_cell_length_c [6.7654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaNO]
_chemical_formula_sum '[Ta8 N8 O8]'
_cell_volume [330.6364]
_cell_formula_units_Z [8]
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  0.1024  0.5000  0.2078  1.0
  Ta  Ta1  4  0.1885  0.5000  0.8063  1.0
  N  N2  4  0.0541  0.5000  0.8626  1.0
  N  N3  4  0.2414  0.0000  0.8523  1.0
  O  O4  4  0.1341  0.0000  0.2106  1.0
  O  O5  4  0.1401  0.5000  0.5071  1.0
]