# generated using pymatgen
data_Tl4Sn5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50399200
_cell_length_b   9.87483567
_cell_length_c   17.36787709
_cell_angle_alpha   104.99746001
_cell_angle_beta   90.12190294
_cell_angle_gamma   111.92491564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Sn5S12
_chemical_formula_sum   'Tl8 Sn10 S24'
_cell_volume   1146.19848277
_cell_formula_units_Z   2
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  0.31260800  0.35766200  0.70198300  1.0
  Tl  Tl1  1  0.68739200  0.64233800  0.29801700  1.0
  Tl  Tl2  1  0.10140700  0.75321600  0.85466400  1.0
  Tl  Tl3  1  0.89859300  0.24678400  0.14533600  1.0
  Tl  Tl4  1  0.41740600  0.92756800  0.61265400  1.0
  Tl  Tl5  1  0.58259400  0.07243200  0.38734600  1.0
  Tl  Tl6  1  0.62462400  0.80374700  0.85683200  1.0
  Tl  Tl7  1  0.37537600  0.19625300  0.14316800  1.0
  Sn  Sn8  1  0.68314700  0.40937500  0.58249700  1.0
  Sn  Sn9  1  0.31685300  0.59062500  0.41750300  1.0
  Sn  Sn10  1  0.01777100  0.12910200  0.59724400  1.0
  Sn  Sn11  1  0.98222900  0.87089800  0.40275600  1.0
  Sn  Sn12  1  0.88446200  0.57182600  0.72998600  1.0
  Sn  Sn13  1  0.11553800  0.42817400  0.27001400  1.0
  Sn  Sn14  1  0.68758900  0.23233700  0.94751000  1.0
  Sn  Sn15  1  0.31241100  0.76766300  0.05249000  1.0
  Sn  Sn16  1  0.18471300  0.23507400  0.94212300  1.0
  Sn  Sn17  1  0.81528700  0.76492600  0.05787700  1.0
  S  S18  1  0.47158300  0.63227300  0.52190600  1.0
  S  S19  1  0.52841700  0.36772700  0.47809400  1.0
  S  S20  1  0.01213200  0.61644900  0.54555300  1.0
  S  S21  1  0.98786800  0.38355100  0.45444700  1.0
  S  S22  1  0.73051200  0.31963900  0.72150100  1.0
  S  S23  1  0.26948800  0.68036100  0.27849900  1.0
  S  S24  1  0.33036200  0.09764800  0.67282100  1.0
  S  S25  1  0.66963800  0.90235200  0.32717900  1.0
  S  S26  1  0.88197900  0.86608900  0.59270400  1.0
  S  S27  1  0.11802100  0.13391100  0.40729600  1.0
  S  S28  1  0.81043700  0.09816100  0.67068200  1.0
  S  S29  1  0.18956300  0.90183900  0.32931800  1.0
  S  S30  1  0.21046100  0.55603100  0.79813700  1.0
  S  S31  1  0.78953900  0.44396900  0.20186300  1.0
  S  S32  1  0.33742900  0.09823100  0.90801400  1.0
  S  S33  1  0.66257100  0.90176900  0.09198600  1.0
  S  S34  1  0.69342500  0.55729600  0.80325300  1.0
  S  S35  1  0.30657500  0.44270400  0.19674700  1.0
  S  S36  1  0.96189500  0.66364000  0.00798400  1.0
  S  S37  1  0.03810500  0.33636000  0.99201600  1.0
  S  S38  1  0.46995800  0.64506700  0.01685200  1.0
  S  S39  1  0.53004200  0.35493300  0.98314800  1.0
  S  S40  1  0.17035400  0.90683800  0.08759200  1.0
  S  S41  1  0.82964600  0.09316200  0.91240800  1.0