# generated using pymatgen
data_ThTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58624009
_cell_length_b   9.99606008
_cell_length_c   10.89655407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTl
_chemical_formula_sum   'Th12 Tl12'
_cell_volume   717.39045508
_cell_formula_units_Z   12
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
  Th  Th0  1  0.00000000  0.75000000  0.39035643  1.0
  Th  Th1  1  0.50000000  0.25000000  0.60964357  1.0
  Th  Th2  1  -0.00000000  0.25000000  0.60964357  1.0
  Th  Th3  1  0.50000000  0.75000000  0.39035643  1.0
  Th  Th4  1  0.75000000  0.62822239  0.68932885  1.0
  Th  Th5  1  0.25000000  0.37177761  0.31067115  1.0
  Th  Th6  1  0.75000000  0.12822239  0.31067115  1.0
  Th  Th7  1  0.25000000  0.87177761  0.68932885  1.0
  Th  Th8  1  0.75000000  0.53397102  0.11318238  1.0
  Th  Th9  1  0.25000000  0.46602898  0.88681762  1.0
  Th  Th10  1  0.75000000  0.03397102  0.88681762  1.0
  Th  Th11  1  0.25000000  0.96602898  0.11318238  1.0
  Tl  Tl12  1  -0.00000000  0.75000000  0.92483511  1.0
  Tl  Tl13  1  0.50000000  0.25000000  0.07516489  1.0
  Tl  Tl14  1  0.00000000  0.25000000  0.07516489  1.0
  Tl  Tl15  1  0.50000000  0.75000000  0.92483511  1.0
  Tl  Tl16  1  0.75000000  0.94626649  0.59593963  1.0
  Tl  Tl17  1  0.25000000  0.05373351  0.40406037  1.0
  Tl  Tl18  1  0.75000000  0.44626649  0.40406037  1.0
  Tl  Tl19  1  0.25000000  0.55373351  0.59593963  1.0
  Tl  Tl20  1  0.75000000  0.86938302  0.14778585  1.0
  Tl  Tl21  1  0.25000000  0.13061698  0.85221415  1.0
  Tl  Tl22  1  0.75000000  0.36938302  0.85221415  1.0
  Tl  Tl23  1  0.25000000  0.63061698  0.14778585  1.0