# generated using pymatgen
data_TlAsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.49627486
_cell_length_b   6.19649386
_cell_length_c   12.58644904
_cell_angle_alpha   75.15407311
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsS2
_chemical_formula_sum   'Tl8 As8 S16'
_cell_volume   866.68525007
_cell_formula_units_Z   8
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  0.31742822  0.84207563  0.05464298  1.0
  Tl  Tl1  1  0.81742822  0.15792437  0.44535702  1.0
  Tl  Tl2  1  0.68257178  0.15792437  0.94535702  1.0
  Tl  Tl3  1  0.18257178  0.84207563  0.55464298  1.0
  Tl  Tl4  1  0.05727508  0.26732644  0.10559379  1.0
  Tl  Tl5  1  0.55727508  0.73267356  0.39440621  1.0
  Tl  Tl6  1  0.94272492  0.73267356  0.89440621  1.0
  Tl  Tl7  1  0.44272492  0.26732644  0.60559379  1.0
  As  As8  1  0.33434488  0.23079474  0.30247653  1.0
  As  As9  1  0.91050944  0.46277907  0.63937292  1.0
  As  As10  1  0.41050944  0.53722093  0.86062708  1.0
  As  As11  1  0.08949056  0.53722093  0.36062708  1.0
  As  As12  1  0.58949056  0.46277907  0.13937292  1.0
  As  As13  1  0.66565512  0.76920526  0.69752347  1.0
  As  As14  1  0.16565512  0.23079474  0.80247653  1.0
  As  As15  1  0.83434488  0.76920526  0.19752347  1.0
  S  S16  1  0.78696699  0.42073336  0.17195677  1.0
  S  S17  1  0.46469325  0.72917211  0.68287640  1.0
  S  S18  1  0.96469325  0.27082789  0.81712360  1.0
  S  S19  1  0.53530675  0.27082789  0.31712360  1.0
  S  S20  1  0.03530675  0.72917211  0.18287640  1.0
  S  S21  1  0.71303301  0.42073336  0.67195677  1.0
  S  S22  1  0.21303301  0.57926664  0.82804323  1.0
  S  S23  1  0.28696699  0.57926664  0.32804323  1.0
  S  S24  1  0.31402310  0.28406754  0.12531799  1.0
  S  S25  1  0.81402310  0.71593246  0.37468201  1.0
  S  S26  1  0.68597690  0.71593246  0.87468201  1.0
  S  S27  1  0.94124540  0.80754845  0.64942940  1.0
  S  S28  1  0.55875460  0.80754845  0.14942940  1.0
  S  S29  1  0.05875460  0.19245155  0.35057060  1.0
  S  S30  1  0.44124540  0.19245155  0.85057060  1.0
  S  S31  1  0.18597690  0.28406754  0.62531799  1.0