data_[Zr16V8Ga12N12]
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
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4900]
_cell_length_b [5.4883]
_cell_length_c [13.7651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4V2(GaN)3]
_chemical_formula_sum '[Zr16 V8 Ga12 N12]'
_cell_volume [697.0551]
_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  0.1158  0.9184  0.0959  1
  Zr  Zr1  8  0.2171  0.0831  0.9041  1
  V  V2  8  0.0570  0.4177  0.4218  1
  Ga  Ga3  8  0.1399  0.4423  0.7493  1
  Ga  Ga4  4  0.0000  0.1398  0.2500  1
  N  N5  8  0.0809  0.2573  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]