data_Cs2LiVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.08
_cell_length_b   12.61
_cell_length_c   7.51
_cell_angle_alpha   84.77
_cell_angle_beta   63.14
_cell_angle_gamma   32.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiVS4
_chemical_formula_sum   'Cs4 Li2 V2 S8'
_cell_volume   498.31
_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
  Cs  Cs0  1  0.41  0.37  0.05  1.0
  Cs  Cs1  1  0.41  0.37  0.74  1.0
  Cs  Cs2  1  0.94  0.91  0.91  1.0
  Cs  Cs3  1  0.94  0.91  0.61  1.0
  Li  Li4  1  0.0  0.0  0.0  1.0
  Li  Li5  1  0.47  0.46  0.13  1.0
  V  V14  1  0.94  0.91  0.26  1.0
  V  V15  1  0.41  0.37  0.4  1.0
  S  S6  1  0.67  0.15  0.5  1.0
  S  S7  1  0.2  0.67  0.5  1.0
  S  S8  1  0.2  0.15  0.03  1.0
  S  S9  1  0.67  0.67  0.03  1.0
  S  S10  1  0.73  0.7  0.63  1.0
  S  S11  1  0.14  0.13  0.63  1.0
  S  S12  1  0.14  0.7  0.9  1.0
  S  S13  1  0.73  0.13  0.9  1.0

data_Cs2LiVS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   7.51
_cell_length_c   12.61
_cell_angle_alpha   84.77
_cell_angle_beta   76.52
_cell_angle_gamma   66.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiVS4
_chemical_formula_sum   'Cs4 Li2 V2 S8'
_cell_volume   498.31
_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
  Cs  Cs0  1  0.06  0.85  0.85  1.0
  Cs  Cs1  1  0.06  0.55  0.85  1.0
  Cs  Cs2  1  0.59  0.15  0.78  1.0
  Cs  Cs3  1  0.59  0.46  0.78  1.0
  Li  Li4  1  0.0  0.0  0.0  1.0
  Li  Li5  1  0.53  0.6  0.93  1.0
  V  V6  1  0.06  0.2  0.85  1.0
  V  V7  1  0.59  0.8  0.78  1.0
  S  S8  1  0.27  0.37  0.43  1.0
  S  S9  1  0.27  0.63  0.86  1.0
  S  S10  1  0.33  0.17  0.83  1.0
  S  S11  1  0.33  0.7  0.35  1.0
  S  S12  1  0.8  0.23  0.36  1.0
  S  S13  1  0.8  0.7  0.88  1.0
  S  S14  1  0.86  0.04  0.84  1.0
  S  S15  1  0.86  0.77  0.27  1.0

Cs Cs Cs Cs Li Li V V S S S S S S S S