data_Tl2Sn(AsS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   27.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Sn(AsS3)2
_chemical_formula_sum   'Tl2 Sn1 As2 S6'
_cell_volume   1070.83
_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
  Tl  Tl0  1  0.21  0.31  0.24  1.0
  Tl  Tl1  1  0.54  0.97  0.04  1.0
  Sn  Sn2  1  0.87  0.64  0.14  1.0
  As  As3  1  0.21  0.31  0.12  1.0
  As  As4  1  0.54  0.97  0.16  1.0
  S  S5  1  0.1  0.54  0.08  1.0
  S  S6  1  0.98  0.97  0.08  1.0
  S  S7  1  0.21  0.87  0.2  1.0
  S  S8  1  0.54  0.41  0.08  1.0
  S  S9  1  0.77  0.3  0.2  1.0
  S  S10  1  0.64  0.74  0.2  1.0

Tl Tl Sn As As S S S S S S 0 9 - o o 0 7 o - o 0 10 o o o 0 3 o o o 1 5 o o o 1 8 o + o 1 6 o o o 1 4 o o o 2 8 o o o 2 6 o o o 2 10 o o o 2 5 + o o 2 9 o o o 2 7 + o o 3 6 - - o 3 5 o o o 3 8 o o o 4 7 o o o 4 10 o o o 4 9 o + o 
data_Tl2Sn(AsS3)2
_symmetry_space_group_name_H-M   P-3
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   27.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   147
_chemical_formula_structural   Tl2Sn(AsS3)2
_chemical_formula_sum   'Tl2 Sn1 As2 S6'
_cell_volume   1070.83
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -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
  Tl  Tl0  2  0.33  0.67  0.1  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  As  As2  2  0.33  0.67  0.98  1.0
  S  S3  6  0.1  0.34  0.94  1.0
