data_Li(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   120.93
_cell_angle_beta   120.93
_cell_angle_gamma   88.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(VS2)2
_chemical_formula_sum   'Li2 V4 S8'
_cell_volume   250.99
_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  0.0  0.51  0.55  1.0
  V  V2  1  0.0  0.75  0.38  1.0
  V  V3  1  0.75  0.0  0.83  1.0
  V  V4  1  0.75  0.51  0.72  1.0
  V  V5  1  0.51  0.75  0.28  1.0
  S  S6  1  0.51  0.86  0.85  1.0
  S  S7  1  0.86  0.51  0.15  1.0
  S  S8  1  0.65  0.0  0.25  1.0
  S  S9  1  0.51  0.65  0.7  1.0
  S  S10  1  0.51  0.35  0.7  1.0
  S  S11  1  0.16  0.0  0.4  1.0
  S  S12  1  0.0  0.65  0.95  1.0
  S  S13  1  0.86  0.0  0.4  1.0

data_Li(VS2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.11
_cell_angle_alpha   119.53
_cell_angle_beta   119.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(VS2)2
_chemical_formula_sum   'Li2 V4 S8'
_cell_volume   250.99
_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  0.96  0.51  0.96  1.0
  V  V2  1  0.17  0.0  0.93  1.0
  V  V3  1  0.38  0.75  0.38  1.0
  V  V4  1  0.48  0.75  0.99  1.0
  V  V5  1  0.78  0.51  0.54  1.0
  S  S6  1  0.01  0.86  0.51  1.0
  S  S7  1  0.36  0.51  0.21  1.0
  S  S8  1  0.6  0.0  0.46  1.0
  S  S9  1  0.6  0.0  0.76  1.0
  S  S10  1  0.65  0.35  0.16  1.0
  S  S11  1  0.7  0.65  0.7  1.0
  S  S12  1  0.75  0.0  0.4  1.0
  S  S13  1  0.95  0.65  0.46  1.0

Li Li V V V V S S S S S S S S