data_[Zr8V16Sb12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8026]
_cell_length_b [5.6516]
_cell_length_c [13.1628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2V4(SbN)3]
_chemical_formula_sum '[Zr8 V16 Sb12 N12]'
_cell_volume [707.6850]
_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
[
  Zr  Zr0  8  0.0546  0.4149  0.4075  1
  V  V1  8  0.1047  0.0784  0.5709  1
  V  V2  8  0.2247  0.0852  0.9295  1
  Sb  Sb3  8  0.1861  0.3974  0.7490  1
  Sb  Sb4  4  0.0000  0.0440  0.2500  1
  N  N5  8  0.0863  0.2427  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]