# generated using pymatgen
data_TmThIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30396392
_cell_length_b   5.30396451
_cell_length_c   17.82477806
_cell_angle_alpha   98.55627380
_cell_angle_beta   98.55627556
_cell_angle_gamma   60.00000926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmThIr6
_chemical_formula_sum   'Tm3 Th3 Ir18'
_cell_volume   427.80962362
_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
  Tm  Tm0  1  0.42910509  0.42910509  0.28731528  1.0
  Tm  Tm1  1  0.93181324  0.93181324  0.79544071  1.0
  Tm  Tm2  1  0.07041057  0.07041057  0.21123270  1.0
  Th  Th3  1  0.57005153  0.57005153  0.71015358  1.0
  Th  Th4  1  0.00116908  0.00116908  0.00350724  1.0
  Th  Th5  1  0.49794805  0.49794805  0.49384314  1.0
  Ir  Ir6  1  0.45765847  0.95806685  0.37379217  1.0
  Ir  Ir7  1  0.96017033  0.45873530  0.87764093  1.0
  Ir  Ir8  1  0.95806685  0.95806685  0.37379217  1.0
  Ir  Ir9  1  0.45873530  0.45873530  0.87764093  1.0
  Ir  Ir10  1  0.95806685  0.45765847  0.37379217  1.0
  Ir  Ir11  1  0.45873530  0.96017033  0.87764093  1.0
  Ir  Ir12  1  0.04182153  0.54194465  0.12570983  1.0
  Ir  Ir13  1  0.54053863  0.04076264  0.62206491  1.0
  Ir  Ir14  1  0.54194465  0.54194465  0.12570983  1.0
  Ir  Ir15  1  0.04076264  0.04076264  0.62206491  1.0
  Ir  Ir16  1  0.54194465  0.04182153  0.12570983  1.0
  Ir  Ir17  1  0.04076264  0.54053863  0.62206491  1.0
  Ir  Ir18  1  0.33404997  0.33404997  0.00215090  1.0
  Ir  Ir19  1  0.83298662  0.83298662  0.49895886  1.0
  Ir  Ir20  1  0.16609507  0.16609507  0.49828721  1.0
  Ir  Ir21  1  0.66687575  0.66687575  0.00062526  1.0
  Ir  Ir22  1  0.74997315  0.74997315  0.24991946  1.0
  Ir  Ir23  1  0.25031706  0.25031706  0.75095117  1.0