data_VWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   6.69
_cell_length_c   8.76
_cell_angle_alpha   73.16
_cell_angle_beta   87.76
_cell_angle_gamma   77.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VWN3
_chemical_formula_sum   'V4 W4 N12'
_cell_volume   294.89
_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
  V  V0  1  0.59  0.9  0.41  1.0
  V  V1  1  0.6  0.15  0.97  1.0
  V  V2  1  0.92  0.16  0.79  1.0
  V  V3  1  0.27  0.89  0.59  1.0
  W  W4  1  0.36  0.02  0.75  1.0
  W  W5  1  0.83  0.03  0.63  1.0
  W  W6  1  0.55  0.64  0.72  1.0
  W  W7  1  0.63  0.41  0.66  1.0
  N  N8  1  0.69  0.84  0.95  1.0
  N  N9  1  0.49  0.21  0.43  1.0
  N  N10  1  0.42  0.47  0.14  1.0
  N  N11  1  0.77  0.58  0.24  1.0
  N  N12  1  0.25  0.81  0.76  1.0
  N  N13  1  0.94  0.23  0.62  1.0
  N  N14  1  0.52  0.25  0.15  1.0
  N  N15  1  0.67  0.8  0.23  1.0
  N  N16  1  0.44  0.83  0.47  1.0
  N  N17  1  0.75  0.22  0.91  1.0
  N  N18  1  0.02  0.93  0.46  1.0
  N  N19  1  0.17  0.12  0.92  1.0

data_VWN3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.39
_cell_length_b   6.69
_cell_length_c   8.76
_cell_angle_alpha   73.16
_cell_angle_beta   87.76
_cell_angle_gamma   77.46
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VWN3
_chemical_formula_sum   'V4 W4 N12'
_cell_volume   294.89
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.18  0.87  0.4  1.0
  V  V1  2  0.49  0.87  0.22  1.0
  W  W2  2  0.27  1.0  0.56  1.0
  W  W3  2  0.46  0.61  0.53  1.0
  N  N4  2  0.07  0.1  0.73  1.0
  N  N5  2  0.15  0.79  0.57  1.0
  N  N6  2  0.32  0.45  0.95  1.0
  N  N7  2  0.34  0.81  0.28  1.0
  N  N8  2  0.4  0.18  0.24  1.0
  N  N9  2  0.43  0.22  0.96  1.0

V V V V W W W W N N N N N N N N N N N N