# generated using pymatgen
data_Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56210431
_cell_length_b   3.56210307
_cell_length_c   8.49317320
_cell_angle_alpha   77.89500681
_cell_angle_beta   102.10499286
_cell_angle_gamma   119.99996893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl
_chemical_formula_sum   Tl3
_cell_volume   90.55096032
_cell_formula_units_Z   3
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  -0.00000000  -0.00000000  0.00000000  1.0
  Tl  Tl1  1  0.77906001  0.22094099  0.33717803  1.0
  Tl  Tl2  1  0.22094099  0.77905901  0.66282197  1.0