data_Li3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V
_chemical_formula_sum   'Li6 V2'
_cell_volume   124.35
_cell_formula_units_Z   2
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  0.36  0.17  0.32  1.0
  Li  Li1  1  0.36  0.83  0.77  1.0
  Li  Li2  1  0.62  0.13  0.32  1.0
  Li  Li3  1  0.11  0.87  0.77  1.0
  Li  Li4  1  0.62  0.87  0.77  1.0
  Li  Li5  1  0.11  0.13  0.32  1.0
  V  V6  1  0.36  0.2  0.32  1.0
  V  V7  1  0.36  0.8  0.77  1.0

data_Li3V
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.09
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   93.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3V
_chemical_formula_sum   'Li6 V2'
_cell_volume   124.35
_cell_formula_units_Z   2
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
  Li  Li0  2  0.27  0.0  0.17  1.0
  Li  Li1  2  0.27  0.26  0.13  1.0
  Li  Li2  2  0.27  0.74  0.13  1.0
  V  V3  2  0.27  0.0  0.2  1.0

Li Li Li Li Li Li V V