data_LiVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   3.45
_cell_angle_alpha   90.18
_cell_angle_beta   90.18
_cell_angle_gamma   29.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCl2
_chemical_formula_sum   'Li1 V1 Cl2'
_cell_volume   77.61
_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  Li2  1  0.32  0.0  0.32  1.0
  V  V3  1  0.46  0.0  0.99  1.0
  Cl  Cl0  1  0.11  0.0  0.05  1.0
  Cl  Cl1  1  0.6  0.0  0.27  1.0

data_LiVCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   6.73
_cell_angle_alpha   90.18
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCl2
_chemical_formula_sum   'Li1 V1 Cl2'
_cell_volume   77.61
_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  0.32  0.32  1.0
  V  V1  1  0.0  0.99  0.46  1.0
  Cl  Cl2  1  0.0  0.05  0.11  1.0
  Cl  Cl3  1  0.0  0.27  0.6  1.0

Li V Cl Cl