data_[Ta4N4O2]
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 [P2_1/m]
_cell_length_a [4.2040]
_cell_length_b [3.2411]
_cell_length_c [8.3893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta2N2O]
_chemical_formula_sum '[Ta4 N4 O2]'
_cell_volume [112.8021]
_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
[
  Ta  Ta0  2  0.1255  0.7500  0.1891  1
  Ta  Ta1  2  0.2731  0.7500  0.5796  1
  N  N2  2  0.2150  0.2500  0.3824  1
  N  N3  2  0.3276  0.2500  0.7520  1
  O  O4  2  0.1885  0.2500  0.0588  1
]