data_Li3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   10.26
_cell_angle_alpha   14.98
_cell_angle_beta   14.98
_cell_angle_gamma   14.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V
_chemical_formula_sum   'Li3 V1'
_cell_volume   62.86
_cell_formula_units_Z   1
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  0.0  0.53  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.0  0.0  0.9  1.0
  V  V3  1  0.0  0.0  0.21  1.0

data_Li3V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   2.68
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   98.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li3V
_chemical_formula_sum   'Li6 V2'
_cell_volume   125.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Li  Li1  2  0.0  0.0  0.1  1.0
  Li  Li2  2  0.0  0.0  0.47  1.0
  V  V3  2  0.0  0.0  0.79  1.0

Li Li Li V