# generated using pymatgen
data_Tl5Se2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77755598
_cell_length_b   8.77755593
_cell_length_c   9.28922561
_cell_angle_alpha   118.19403028
_cell_angle_beta   118.19403297
_cell_angle_gamma   90.00000302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Se2I
_chemical_formula_sum   'Tl10 Se4 I2'
_cell_volume   532.48950397
_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  0.99317030  0.78114493  0.27431624  1.0
  Tl  Tl1  1  0.78114493  0.28114493  0.27431624  1.0
  Tl  Tl2  1  0.49317030  0.99317030  0.27431624  1.0
  Tl  Tl3  1  0.21885507  0.71885507  0.72568376  1.0
  Tl  Tl4  1  0.28114493  0.49317030  0.27431624  1.0
  Tl  Tl5  1  0.00682970  0.21885507  0.72568376  1.0
  Tl  Tl6  1  0.71885507  0.50682970  0.72568376  1.0
  Tl  Tl7  1  0.50682970  0.00682970  0.72568376  1.0
  Tl  Tl8  1  0.50000000  0.50000000  -0.00000000  1.0
  Tl  Tl9  1  -0.00000000  0.00000000  -0.00000000  1.0
  Se  Se10  1  0.83749667  0.33749667  -0.00000000  1.0
  Se  Se11  1  0.66250333  0.83749667  0.00000000  1.0
  Se  Se12  1  0.33749667  0.16250333  -0.00000000  1.0
  Se  Se13  1  0.16250333  0.66250333  0.00000000  1.0
  I  I14  1  0.75000000  0.75000000  0.50000000  1.0
  I  I15  1  0.25000000  0.25000000  0.50000000  1.0