# generated using pymatgen
data_Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45935449
_cell_length_b   10.45935449
_cell_length_c   10.45935449
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl
_chemical_formula_sum   Tl29
_cell_volume   880.83133592
_cell_formula_units_Z   29
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  0.36324571  0.00000000  0.00000000  1.0
  Tl  Tl1  1  -0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl2  1  0.59838427  0.31724789  -0.00000000  1.0
  Tl  Tl3  1  -0.00000000  0.36324571  0.00000000  1.0
  Tl  Tl4  1  0.31724789  0.59838427  -0.00000000  1.0
  Tl  Tl5  1  0.80913362  0.62553322  -0.00000000  1.0
  Tl  Tl6  1  0.62553322  0.80913362  -0.00000000  1.0
  Tl  Tl7  1  0.37446678  0.37446678  0.18360040  1.0
  Tl  Tl8  1  0.81639960  0.19086638  0.19086638  1.0
  Tl  Tl9  1  0.19086638  0.81639960  0.19086638  1.0
  Tl  Tl10  1  0.68275211  0.68275211  0.28113538  1.0
  Tl  Tl11  1  0.59838427  0.00000000  0.31724789  1.0
  Tl  Tl12  1  0.00000000  0.59838427  0.31724789  1.0
  Tl  Tl13  1  -0.00000000  -0.00000000  0.36324571  1.0
  Tl  Tl14  1  0.37446678  0.18360040  0.37446678  1.0
  Tl  Tl15  1  0.18360040  0.37446678  0.37446678  1.0
  Tl  Tl16  1  0.71886462  0.40161573  0.40161573  1.0
  Tl  Tl17  1  0.40161573  0.71886462  0.40161573  1.0
  Tl  Tl18  1  0.31724789  -0.00000000  0.59838427  1.0
  Tl  Tl19  1  -0.00000000  0.31724789  0.59838427  1.0
  Tl  Tl20  1  0.80913362  -0.00000000  0.62553322  1.0
  Tl  Tl21  1  -0.00000000  0.80913362  0.62553322  1.0
  Tl  Tl22  1  0.63675529  0.63675529  0.63675529  1.0
  Tl  Tl23  1  0.68275211  0.28113538  0.68275211  1.0
  Tl  Tl24  1  0.28113538  0.68275211  0.68275211  1.0
  Tl  Tl25  1  0.40161573  0.40161573  0.71886462  1.0
  Tl  Tl26  1  0.62553322  -0.00000000  0.80913362  1.0
  Tl  Tl27  1  0.00000000  0.62553322  0.80913362  1.0
  Tl  Tl28  1  0.19086638  0.19086638  0.81639960  1.0