# generated using pymatgen
data_Tl5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57085218
_cell_length_b   8.57085218
_cell_length_c   12.75249317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Se3
_chemical_formula_sum   'Tl20 Se12'
_cell_volume   936.79186321
_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  0.42366472  0.87237163  0.09771000  1.0
  Tl  Tl1  1  0.12838213  0.57614022  0.40271072  1.0
  Tl  Tl2  1  0.37237163  0.57633528  0.90229000  1.0
  Tl  Tl3  1  0.42385978  0.62838213  0.59728928  1.0
  Tl  Tl4  1  0.92385978  0.12838213  0.40271072  1.0
  Tl  Tl5  1  0.12762837  0.92366472  0.90229000  1.0
  Tl  Tl6  1  0.87161787  0.42385978  0.59728928  1.0
  Tl  Tl7  1  0.57614022  0.37161787  0.40271072  1.0
  Tl  Tl8  1  0.62838213  0.07614022  0.59728928  1.0
  Tl  Tl9  1  0.87237163  0.07633528  0.09771000  1.0
  Tl  Tl10  1  0.25000000  0.25000000  0.21070401  1.0
  Tl  Tl11  1  0.25000000  0.25000000  0.71128773  1.0
  Tl  Tl12  1  0.37161787  0.92385978  0.40271072  1.0
  Tl  Tl13  1  0.57633528  0.12762837  0.90229000  1.0
  Tl  Tl14  1  0.75000000  0.75000000  0.78929599  1.0
  Tl  Tl15  1  0.07614022  0.87161787  0.59728928  1.0
  Tl  Tl16  1  0.92366472  0.37237163  0.90229000  1.0
  Tl  Tl17  1  0.07633528  0.62762837  0.09771000  1.0
  Tl  Tl18  1  0.62762837  0.42366472  0.09771000  1.0
  Tl  Tl19  1  0.75000000  0.75000000  0.28871227  1.0
  Se  Se20  1  0.09003814  0.58344099  0.74881191  1.0
  Se  Se21  1  0.75000000  0.75000000  0.52059556  1.0
  Se  Se22  1  0.75000000  0.75000000  0.02427199  1.0
  Se  Se23  1  0.40996186  0.91655901  0.74881191  1.0
  Se  Se24  1  0.41655901  0.59003814  0.25118809  1.0
  Se  Se25  1  0.59003814  0.08344099  0.25118809  1.0
  Se  Se26  1  0.25000000  0.25000000  0.47940444  1.0
  Se  Se27  1  0.25000000  0.25000000  0.97572801  1.0
  Se  Se28  1  0.08344099  0.90996186  0.25118809  1.0
  Se  Se29  1  0.58344099  0.40996186  0.74881191  1.0
  Se  Se30  1  0.91655901  0.09003814  0.74881191  1.0
  Se  Se31  1  0.90996186  0.41655901  0.25118809  1.0