# generated using pymatgen
data_TlAs3PbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.41976467
_cell_length_b   24.36509814
_cell_length_c   8.40439989
_cell_angle_alpha   87.46313239
_cell_angle_beta   73.24984683
_cell_angle_gamma   19.28702078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAs3PbS6
_chemical_formula_sum   'Tl4 As12 Pb4 S24'
_cell_volume   1142.34308138
_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
  Tl  Tl0  1  0.54380600  0.01797300  0.36440300  1.0
  Tl  Tl1  1  0.07381700  0.36440300  0.01797300  1.0
  Tl  Tl2  1  0.23202700  0.70619400  0.17618300  1.0
  Tl  Tl3  1  0.88559700  0.17618300  0.70619400  1.0
  As  As4  1  0.58528300  0.34692300  0.39184500  1.0
  As  As5  1  0.01735100  0.64868000  0.87670700  1.0
  As  As6  1  0.47093600  0.87671600  0.22331400  1.0
  As  As7  1  0.90307700  0.66471700  0.57405200  1.0
  As  As8  1  0.60132000  0.23264900  0.79273800  1.0
  As  As9  1  0.85815500  0.57405200  0.66471700  1.0
  As  As10  1  0.42903400  0.22331400  0.87671600  1.0
  As  As11  1  0.45726200  0.87670700  0.64868000  1.0
  As  As12  1  0.67594800  0.39184500  0.34692300  1.0
  As  As13  1  0.02668600  0.82096600  0.77906400  1.0
  As  As14  1  0.37329300  0.79273800  0.23264900  1.0
  As  As15  1  0.37328400  0.77906400  0.82096600  1.0
  Pb  Pb16  1  0.09216800  0.65237800  0.35921200  1.0
  Pb  Pb17  1  0.89078800  0.35375900  0.15783200  1.0
  Pb  Pb18  1  0.59762200  0.15783200  0.35375900  1.0
  Pb  Pb19  1  0.89624100  0.35921200  0.65237800  1.0
  S  S20  1  0.48850900  0.91689100  0.42493500  1.0
  S  S21  1  0.24266300  0.42093600  0.48763700  1.0
  S  S22  1  0.33152000  0.50669800  0.38582800  1.0
  S  S23  1  0.33310900  0.76149100  0.08033500  1.0
  S  S24  1  0.76236300  0.40123500  0.00733700  1.0
  S  S25  1  0.77702400  0.71418400  0.51199200  1.0
  S  S26  1  0.16966500  0.42493500  0.91689100  1.0
  S  S27  1  0.84876500  0.48763700  0.42093600  1.0
  S  S28  1  0.55048700  0.03062700  0.95339600  1.0
  S  S29  1  0.39177800  0.85004000  0.04948300  1.0
  S  S30  1  0.46549000  0.95339600  0.03062700  1.0
  S  S31  1  0.20051700  0.54130100  0.85822200  1.0
  S  S32  1  0.21937300  0.69951300  0.78451000  1.0
  S  S33  1  0.53581600  0.47297600  0.25320000  1.0
  S  S34  1  0.29660400  0.78451000  0.69951300  1.0
  S  S35  1  0.70869900  0.04948300  0.85004000  1.0
  S  S36  1  0.99680000  0.51199200  0.71418400  1.0
  S  S37  1  0.82506500  0.08033500  0.76149100  1.0
  S  S38  1  0.39996000  0.85822200  0.54130100  1.0
  S  S39  1  0.86417200  0.47404700  0.91848000  1.0
  S  S40  1  0.73800800  0.25320000  0.47297600  1.0
  S  S41  1  0.82906400  0.00733700  0.40123500  1.0
  S  S42  1  0.77595300  0.38582800  0.50669800  1.0
  S  S43  1  0.74330200  0.91848000  0.47404700  1.0