data_Li2SiSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   114.61
_cell_angle_beta   114.61
_cell_angle_gamma   99.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SiSnS4
_chemical_formula_sum   'Li2 Si1 Sn1 S4'
_cell_volume   161.79
_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  0.24  0.93  1.0
  Li  Li1  1  0.24  0.0  0.93  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.86  1.0
  S  S4  1  0.99  0.99  0.09  1.0
  S  S5  1  0.99  0.01  0.64  1.0
  S  S6  1  0.01  0.99  0.64  1.0
  S  S7  1  0.24  0.24  0.22  1.0

data_Li2SiSnS4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.73
_cell_length_b   9.15
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   130.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2SiSnS4
_chemical_formula_sum   'Li4 Si2 Sn2 S8'
_cell_volume   323.58
_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  4  0.19  0.12  0.07  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.14  0.0  0.14  1.0
  S  S3  4  0.36  0.01  0.36  1.0
  S  S4  2  0.02  0.0  0.78  1.0
  S  S5  2  0.41  0.5  0.91  1.0

Li Li Si Sn S S S S