data_Li6P(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6P(S2Cl)2
_chemical_formula_sum   'Li6 P1 S4 Cl2'
_cell_volume   286.41
_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  0.62  0.06  0.62  1.0
  Li  Li1  1  0.62  0.17  0.62  1.0
  Li  Li2  1  0.62  0.62  0.06  1.0
  Li  Li3  1  0.62  0.62  0.17  1.0
  Li  Li4  1  0.06  0.62  0.62  1.0
  Li  Li5  1  0.17  0.62  0.62  1.0
  P  P7  1  0.0  0.0  0.0  1.0
  S  S8  1  0.49  0.21  0.49  1.0
  S  S9  1  0.21  0.49  0.49  1.0
  S  S10  1  0.21  0.21  0.21  1.0
  S  S11  1  0.49  0.49  0.21  1.0
  Cl  Cl6  1  0.23  0.23  0.23  1.0
  Cl  Cl12  1  0.62  0.62  0.62  1.0

data_Li6P(S2Cl)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   18.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li6P(S2Cl)2
_chemical_formula_sum   'Li18 P3 S12 Cl6'
_cell_volume   859.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.04  0.52  0.9  1.0
  Li  Li1  9  0.19  0.81  0.2  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  S  S3  9  0.18  0.09  0.61  1.0
  S  S4  3  0.0  0.0  0.79  1.0
  Cl  Cl5  3  0.0  0.0  0.38  1.0
  Cl  Cl6  3  0.0  0.0  0.77  1.0

Li Li Li Li Li Li P S S S S Cl Cl