data_[Ta10N16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7327]
_cell_length_b [6.2399]
_cell_length_c [7.1596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta5N8]
_chemical_formula_sum '[Ta10 N16]'
_cell_volume [325.2885]
_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  4  0.0000  0.2535  0.5000  1
  Ta  Ta1  4  0.2026  0.5000  0.0037  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  N  N3  8  0.2145  0.2269  0.1658  1
  N  N4  4  0.0021  0.0000  0.3018  1
  N  N5  4  0.0349  0.5000  0.3412  1
]