data_[Nb8V16Sn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4837]
_cell_length_b [5.4646]
_cell_length_c [13.5132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2V4(SnN)3]
_chemical_formula_sum '[Nb8 V16 Sn12 N12]'
_cell_volume [681.3326]
_cell_formula_units_Z [4]
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  8  0.0540  0.4187  0.4165  1
  V  V1  8  0.1070  0.0885  0.5736  1
  V  V2  8  0.2286  0.0817  0.9262  1
  Sn  Sn3  8  0.1762  0.4082  0.7504  1
  Sn  Sn4  4  0.0000  0.0649  0.2500  1
  N  N5  8  0.0890  0.2326  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]