data_LiV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.73
_cell_length_c   8.73
_cell_angle_alpha   159.33
_cell_angle_beta   159.33
_cell_angle_gamma   29.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2
_chemical_formula_sum   'Li2 V4'
_cell_volume   82.72
_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  0.0  0.57  0.22  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.57  0.0  0.44  1.0
  V  V3  1  0.0  0.0  0.22  1.0
  V  V4  1  0.57  0.0  1.0  1.0
  V  V5  1  0.0  0.0  0.66  1.0

data_LiV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.73
_cell_angle_alpha   100.34
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2
_chemical_formula_sum   'Li2 V4'
_cell_volume   82.72
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.35  0.57  0.35  1.0
  V  V2  1  0.0  0.0  0.57  1.0
  V  V3  1  0.34  0.0  0.34  1.0
  V  V4  1  0.56  0.0  0.12  1.0
  V  V5  1  0.78  0.0  0.78  1.0

Li Li V V V V