data_Li2CrS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   12.06
_cell_angle_alpha   94.96
_cell_angle_beta   94.96
_cell_angle_gamma   119.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrS3
_chemical_formula_sum   'Li8 Cr4 S12'
_cell_volume   383.84
_cell_formula_units_Z   4
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  0.52  0.84  0.95  1.0
  Li  Li1  1  0.53  0.64  0.0  1.0
  Li  Li2  1  0.49  0.1  0.91  1.0
  Li  Li3  1  0.49  0.36  0.94  1.0
  Li  Li4  1  0.47  0.84  0.87  1.0
  Li  Li5  1  0.56  0.16  0.01  1.0
  Li  Li6  1  0.54  0.9  0.97  1.0
  Li  Li7  1  0.51  0.16  0.93  1.0
  Cr  Cr8  1  0.54  0.42  0.97  1.0
  Cr  Cr9  1  0.49  0.54  0.91  1.0
  Cr  Cr10  1  0.54  0.46  0.97  1.0
  Cr  Cr11  1  0.49  0.58  0.91  1.0
  S  S12  1  0.38  0.97  0.28  1.0
  S  S13  1  0.33  0.94  0.63  1.0
  S  S14  1  0.6  0.16  0.58  1.0
  S  S15  1  0.74  0.94  0.31  1.0
  S  S16  1  0.43  0.03  0.34  1.0
  S  S17  1  0.64  0.84  0.64  1.0
  S  S18  1  0.39  0.16  0.24  1.0
  S  S19  1  0.6  0.97  0.54  1.0
  S  S20  1  0.29  0.06  0.57  1.0
  S  S21  1  0.43  0.84  0.3  1.0
  S  S22  1  0.7  0.06  0.25  1.0
  S  S23  1  0.65  0.03  0.6  1.0

data_Li2CrS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   12.06
_cell_angle_alpha   94.96
_cell_angle_beta   94.96
_cell_angle_gamma   119.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrS3
_chemical_formula_sum   'Li8 Cr4 S12'
_cell_volume   383.84
_cell_formula_units_Z   4
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  0.47  0.84  0.87  1.0
  Li  Li1  1  0.49  0.36  0.94  1.0
  Li  Li2  1  0.49  0.1  0.91  1.0
  Li  Li3  1  0.51  0.16  0.93  1.0
  Li  Li4  1  0.52  0.84  0.95  1.0
  Li  Li5  1  0.53  0.64  -0.0  1.0
  Li  Li6  1  0.54  0.9  0.97  1.0
  Li  Li7  1  0.56  0.16  0.01  1.0
  Cr  Cr8  1  0.49  0.54  0.91  1.0
  Cr  Cr9  1  0.49  0.58  0.91  1.0
  Cr  Cr10  1  0.54  0.42  0.97  1.0
  Cr  Cr11  1  0.54  0.46  0.97  1.0
  S  S12  1  0.29  0.06  0.57  1.0
  S  S13  1  0.33  0.94  0.63  1.0
  S  S14  1  0.38  0.97  0.28  1.0
  S  S15  1  0.39  0.16  0.24  1.0
  S  S16  1  0.43  0.03  0.34  1.0
  S  S17  1  0.43  0.84  0.3  1.0
  S  S18  1  0.6  0.16  0.58  1.0
  S  S19  1  0.6  0.97  0.54  1.0
  S  S20  1  0.64  0.84  0.64  1.0
  S  S21  1  0.65  0.03  0.6  1.0
  S  S22  1  0.7  0.06  0.25  1.0
  S  S23  1  0.74  0.94  0.31  1.0

Li Li Li Li Li Li Li Li Cr Cr Cr Cr S S S S S S S S S S S S
Li Li Li Li Li Li Li Li Cr Cr Cr Cr S S S S S S S S S S S S 0 6 o o o 0 4 o o o 1 11 o o - 1 10 o o - 1 9 o o - 2 7 o o o 2 5 o o + 3 8 o o o 4 6 o o o 5 7 o o - 8 10 o o o 9 11 o o o 12 16 o + o 12 18 o + o 12 21 o o o 13 20 o + o 14 19 o - o 14 23 o o o 15 22 o + o 16 21 o - o 17 23 o + o 19 23 o + o 