# generated using pymatgen
data_Tl5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60038749
_cell_length_b   8.60038749
_cell_length_c   12.61084109
_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   932.78185800
_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  0.37399487  0.57690369  0.59710636  1.0
  Tl  Tl1  1  0.87399487  0.42309631  0.90289364  1.0
  Tl  Tl2  1  0.57690369  0.12600513  0.59710636  1.0
  Tl  Tl3  1  0.92309631  0.37399487  0.59710636  1.0
  Tl  Tl4  1  0.25000000  0.25000000  0.28573549  1.0
  Tl  Tl5  1  0.75000000  0.75000000  0.21426451  1.0
  Tl  Tl6  1  0.75000000  0.75000000  0.71426451  1.0
  Tl  Tl7  1  0.25000000  0.25000000  0.78573549  1.0
  Tl  Tl8  1  0.12600513  0.92309631  0.59710636  1.0
  Tl  Tl9  1  0.07690469  0.87399487  0.90289364  1.0
  Tl  Tl10  1  0.42309631  0.62600513  0.90289364  1.0
  Tl  Tl11  1  0.62600513  0.07690469  0.90289364  1.0
  Tl  Tl12  1  0.07690469  0.62600513  0.40289364  1.0
  Tl  Tl13  1  0.42309631  0.87399487  0.40289364  1.0
  Tl  Tl14  1  0.12600513  0.57690369  0.09710636  1.0
  Tl  Tl15  1  0.62600513  0.42309631  0.40289364  1.0
  Tl  Tl16  1  0.87399487  0.07690469  0.40289364  1.0
  Tl  Tl17  1  0.92309631  0.12600513  0.09710636  1.0
  Tl  Tl18  1  0.57690369  0.37399487  0.09710636  1.0
  Tl  Tl19  1  0.37399487  0.92309631  0.09710636  1.0
  Se  Se20  1  0.25000000  0.25000000  0.52219610  1.0
  Se  Se21  1  0.75000000  0.75000000  0.97780390  1.0
  Se  Se22  1  0.75000000  0.75000000  0.47780390  1.0
  Se  Se23  1  0.25000000  0.25000000  0.02219610  1.0
  Se  Se24  1  0.08823775  0.58823775  0.75000000  1.0
  Se  Se25  1  0.91176225  0.08823775  0.75000000  1.0
  Se  Se26  1  0.58823775  0.41176225  0.75000000  1.0
  Se  Se27  1  0.41176225  0.91176225  0.75000000  1.0
  Se  Se28  1  0.91176225  0.41176225  0.25000000  1.0
  Se  Se29  1  0.08823775  0.91176225  0.25000000  1.0
  Se  Se30  1  0.41176225  0.58823775  0.25000000  1.0
  Se  Se31  1  0.58823775  0.08823775  0.25000000  1.0