# generated using pymatgen
data_Tm9Th(Al2Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25269768
_cell_length_b   8.22102672
_cell_length_c   8.22102582
_cell_angle_alpha   109.22540081
_cell_angle_beta   109.41947712
_cell_angle_gamma   109.61261631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm9Th(Al2Ru3)2
_chemical_formula_sum   'Tm9 Th1 Al4 Ru6'
_cell_volume   430.18632885
_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  0.75000000  0.82036195  0.07036195  1.0
  Tm  Tm1  1  0.42985927  0.25176868  0.68002309  1.0
  Tm  Tm2  1  0.67723471  0.42975312  0.24881256  1.0
  Tm  Tm3  1  0.07014173  0.75016482  0.82191041  1.0
  Tm  Tm4  1  0.82276529  0.07157785  0.75251741  1.0
  Tm  Tm5  1  0.21474934  0.21184121  0.21404409  1.0
  Tm  Tm6  1  0.50439948  0.00159596  0.28624101  1.0
  Tm  Tm7  1  0.28525066  0.49929676  0.99709188  1.0
  Tm  Tm8  1  0.99560152  0.28184253  0.49719848  1.0
  Th  Th9  1  0.25000000  0.68959433  0.43959533  1.0
  Al  Al10  1  0.50474318  0.00720163  0.91958695  1.0
  Al  Al11  1  0.59547585  0.58851965  0.58966187  1.0
  Al  Al12  1  0.90452415  0.49418702  0.99304280  1.0
  Al  Al13  1  0.99525782  0.91484377  0.50246045  1.0
  Ru  Ru14  1  0.25000100  0.12239128  0.87239128  1.0
  Ru  Ru15  1  0.75000000  0.37459027  0.62459027  1.0
  Ru  Ru16  1  0.87653047  0.24910606  0.12565016  1.0
  Ru  Ru17  1  0.12658393  0.86450966  0.25432669  1.0
  Ru  Ru18  1  0.62346853  0.74911969  0.37257358  1.0
  Ru  Ru19  1  0.37341507  0.62774175  0.73792573  1.0