data_[Nb6Te4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.0877]
_cell_length_b [12.4181]
_cell_length_c [17.9391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Nb3Te2N3]
_chemical_formula_sum '[Nb6 Te4 N6]'
_cell_volume [910.6173]
_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
[
  Nb  Nb0  4  0.0000  0.1637  0.4665  1
  Nb  Nb1  2  0.0000  0.5000  0.4973  1
  Te  Te2  4  0.0000  0.1273  0.6119  1
  N  N3  4  0.0000  0.3379  0.4481  1
  N  N4  2  0.0000  0.0000  0.4498  1
]