data_[V6As6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5307]
_cell_length_b [3.0929]
_cell_length_c [15.2957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VAsN]
_chemical_formula_sum '[V6 As6 N6]'
_cell_volume [260.3354]
_cell_formula_units_Z [6]
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
[
  V  V0  1  0.1369  0.5000  0.4944  1
  V  V1  1  0.2039  0.0000  0.2895  1
  V  V2  1  0.4462  0.5000  0.1688  1
  V  V3  1  0.6345  0.5000  0.8460  1
  V  V4  1  0.6747  0.0000  0.0396  1
  V  V5  1  0.8665  0.0000  0.6626  1
  As  As6  1  0.1289  0.5000  0.8907  1
  As  As7  1  0.2314  0.0000  0.0502  1
  As  As8  1  0.2639  0.0000  0.7783  1
  As  As9  1  0.4722  0.0000  0.5592  1
  As  As10  1  0.6646  0.0000  0.2841  1
  As  As11  1  0.7788  0.0000  0.4535  1
  N  N12  1  0.1495  0.5000  0.2217  1
  N  N13  1  0.1983  0.5000  0.3857  1
  N  N14  1  0.6844  0.0000  0.9195  1
  N  N15  1  0.7321  0.5000  0.7412  1
  N  N16  1  0.7395  0.5000  0.0992  1
  N  N17  1  0.9937  0.5000  0.6157  1
]