data_Li3VN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   123.91
_cell_angle_beta   123.91
_cell_angle_gamma   83.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3VN2
_chemical_formula_sum   'Li12 V4 N8'
_cell_volume   299.49
_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
  Li  Li0  1  0.0  0.61  0.29  1.0
  Li  Li1  1  0.0  0.0  0.06  1.0
  Li  Li2  1  0.0  0.61  0.45  1.0
  Li  Li3  1  0.0  0.0  0.42  1.0
  Li  Li4  1  0.85  0.76  0.87  1.0
  Li  Li5  1  0.37  0.24  0.87  1.0
  Li  Li6  1  0.24  0.76  0.74  1.0
  Li  Li7  1  0.76  0.24  0.74  1.0
  Li  Li8  1  0.37  0.76  0.87  1.0
  Li  Li9  1  0.85  0.24  0.87  1.0
  Li  Li10  1  0.76  0.76  0.74  1.0
  Li  Li11  1  0.85  0.85  0.0  1.0
  V  V12  1  0.61  0.0  0.33  1.0
  V  V13  1  0.0  0.0  0.28  1.0
  V  V14  1  0.61  0.0  0.41  1.0
  V  V15  1  0.0  0.0  0.2  1.0
  N  N16  1  0.05  0.0  0.4  1.0
  N  N17  1  0.18  0.0  0.4  1.0
  N  N18  1  0.43  0.0  0.21  1.0
  N  N19  1  0.18  0.61  0.47  1.0
  N  N20  1  0.61  0.57  0.34  1.0
  N  N21  1  0.61  0.43  0.34  1.0
  N  N22  1  0.61  0.18  0.53  1.0
  N  N23  1  0.0  0.43  0.26  1.0

data_Li3VN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.68
_cell_angle_alpha   118.04
_cell_angle_beta   118.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3VN2
_chemical_formula_sum   'Li12 V4 N8'
_cell_volume   299.49
_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
  Li  Li0  1  0.02  0.76  0.26  1.0
  Li  Li1  1  0.02  0.76  0.78  1.0
  Li  Li2  1  0.16  0.61  0.16  1.0
  Li  Li3  1  0.32  0.61  0.32  1.0
  Li  Li4  1  0.37  0.24  0.23  1.0
  Li  Li5  1  0.37  0.24  0.74  1.0
  Li  Li6  1  0.5  0.24  0.26  1.0
  Li  Li7  1  0.58  0.0  0.58  1.0
  Li  Li8  1  0.85  0.85  0.71  1.0
  Li  Li9  1  0.89  0.76  0.26  1.0
  Li  Li10  1  0.89  0.76  0.74  1.0
  Li  Li11  1  0.94  0.0  0.94  1.0
  V  V12  1  0.59  0.0  0.2  1.0
  V  V13  1  0.67  0.0  0.28  1.0
  V  V14  1  0.72  0.0  0.72  1.0
  V  V15  1  0.8  0.0  0.8  1.0
  N  N16  1  0.09  0.43  0.7  1.0
  N  N17  1  0.14  0.61  0.32  1.0
  N  N18  1  0.17  0.43  0.17  1.0
  N  N19  1  0.22  0.57  0.83  1.0
  N  N20  1  0.6  0.0  0.65  1.0
  N  N21  1  0.6  0.0  0.78  1.0
  N  N22  1  0.65  0.18  0.26  1.0
  N  N23  1  0.79  0.0  0.22  1.0

Li Li Li Li Li Li Li Li Li Li Li Li V V V V N N N N N N N N