data_[Nb16Si4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1525]
_cell_length_b [4.5514]
_cell_length_c [5.5532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb8Si2N]
_chemical_formula_sum '[Nb16 Si4 N2]'
_cell_volume [359.3236]
_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  0.0015  0.0000  0.2448  1
  Nb  Nb1  4  0.0892  0.5000  0.7074  1
  Nb  Nb2  4  0.1317  0.5000  0.2591  1
  Nb  Nb3  4  0.2162  0.0000  0.1169  1
  Si  Si4  4  0.1703  0.0000  0.6068  1
  N  N5  2  0.0000  0.5000  0.0000  1
]