tl3sbs3_Cm_conv.cif

# generated using pymatgen
data_Tl3SbS3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24519439
_cell_length_b   9.42385000
_cell_length_c   5.85915025
_cell_angle_alpha   90.00000000
_cell_angle_beta   112.38500850
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3SbS3
_chemical_formula_sum   'Tl6 Sb2 S6'
_cell_volume   369.90346610
_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
  Tl  Tl0  4  0.10879450  0.30908250  0.79757200  1
  Tl  Tl1  2  0.29842300  0.50000000  0.42035500  1
  Sb  Sb2  2  0.24332200  0.00000000  0.24393300  1
  S  S3  4  0.01325600  0.19784700  0.21423800  1
  S  S4  2  0.21395300  0.00000000  0.81189000  1