# generated using pymatgen
data_TmTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58635864
_cell_length_b   7.60333815
_cell_length_c   9.44120286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.44841738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh3(Al3Ir)6
_chemical_formula_sum   'Tm1 Th3 Al18 Ir6'
_cell_volume   474.22315887
_cell_formula_units_Z   1
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  0.32749752  0.00655647  0.75000000  1.0
  Th  Th1  1  0.99460985  0.67156548  0.25000000  1.0
  Th  Th2  1  0.00378781  0.32854174  0.75000000  1.0
  Th  Th3  1  0.67060509  0.99345528  0.25000000  1.0
  Al  Al4  1  0.13670457  0.13374664  0.25000000  1.0
  Al  Al5  1  0.86979998  0.86864314  0.75000000  1.0
  Al  Al6  1  0.00706682  0.33581374  0.07394783  1.0
  Al  Al7  1  0.00023965  0.67010438  0.92212836  1.0
  Al  Al8  1  0.00023965  0.67010438  0.57787164  1.0
  Al  Al9  1  0.33543780  0.00523429  0.43291855  1.0
  Al  Al10  1  0.00706682  0.33581374  0.42605217  1.0
  Al  Al11  1  0.65830861  0.99455628  0.57773888  1.0
  Al  Al12  1  0.65830861  0.99455628  0.92226112  1.0
  Al  Al13  1  0.33543780  0.00523429  0.06708145  1.0
  Al  Al14  1  0.33652971  0.33270295  0.55242879  1.0
  Al  Al15  1  0.66293832  0.66261668  0.45798244  1.0
  Al  Al16  1  0.66293832  0.66261668  0.04201756  1.0
  Al  Al17  1  0.33652971  0.33270295  0.94757121  1.0
  Al  Al18  1  0.34273219  0.54384346  0.25000000  1.0
  Al  Al19  1  0.65533561  0.44981208  0.75000000  1.0
  Al  Al20  1  0.54428009  0.33897140  0.25000000  1.0
  Al  Al21  1  0.45273739  0.66209123  0.75000000  1.0
  Ir  Ir22  1  0.67407558  0.32805938  0.99963486  1.0
  Ir  Ir23  1  0.32701977  0.67182383  0.00016302  1.0
  Ir  Ir24  1  0.32701977  0.67182383  0.49983698  1.0
  Ir  Ir25  1  0.67407558  0.32805938  0.50036514  1.0
  Ir  Ir26  1  0.99934121  0.00047551  0.99973356  1.0
  Ir  Ir27  1  0.99934121  0.00047551  0.50026644  1.0