data_[Ta8Te8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9077]
_cell_length_b [3.6653]
_cell_length_c [11.5547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTeN]
_chemical_formula_sum '[Ta8 Te8 N8]'
_cell_volume [548.0376]
_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  0.0998  0.5000  0.0946  1
  Ta  Ta1  4  0.1834  0.5000  0.8987  1
  Te  Te2  4  0.1228  0.5000  0.6295  1
  Te  Te3  4  0.1599  0.0000  0.3001  1
  N  N4  4  0.0428  0.5000  0.9002  1
  N  N5  4  0.2432  0.0000  0.8944  1
]