# generated using pymatgen
data_Tm8Sc2IrRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49351093
_cell_length_b   10.48890577
_cell_length_c   6.19536680
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.95180311
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm8Sc2IrRu5
_chemical_formula_sum   'Tm16 Sc4 Ir2 Ru10'
_cell_volume   681.89557753
_cell_formula_units_Z   2
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  0.28913190  0.08348152  0.37184108  1.0
  Tm  Tm1  1  0.28913190  0.91651848  0.87184108  1.0
  Tm  Tm2  1  0.71178525  0.08407413  0.87172836  1.0
  Tm  Tm3  1  0.71178525  0.91592587  0.37172836  1.0
  Tm  Tm4  1  0.58492549  0.79003985  0.87144588  1.0
  Tm  Tm5  1  0.58492549  0.20996015  0.37144588  1.0
  Tm  Tm6  1  0.41573799  0.78975707  0.37182687  1.0
  Tm  Tm7  1  0.41573799  0.21024293  0.87182687  1.0
  Tm  Tm8  1  0.20923581  0.41529130  0.62764352  1.0
  Tm  Tm9  1  0.20923581  0.58470870  0.12764352  1.0
  Tm  Tm10  1  0.78918513  0.41543865  0.12878040  1.0
  Tm  Tm11  1  0.78918513  0.58456135  0.62878040  1.0
  Tm  Tm12  1  0.91567238  0.71134807  0.12826901  1.0
  Tm  Tm13  1  0.91567238  0.28865193  0.62826901  1.0
  Tm  Tm14  1  0.08324585  0.71127554  0.62822992  1.0
  Tm  Tm15  1  0.08324585  0.28872446  0.12822992  1.0
  Sc  Sc16  1  0.00043053  0.00037169  0.49992558  1.0
  Sc  Sc17  1  0.00043053  0.99962831  0.99992558  1.0
  Sc  Sc18  1  0.50173163  0.50082545  0.00015450  1.0
  Sc  Sc19  1  0.50173163  0.49917455  0.50015450  1.0
  Ir  Ir20  1  0.34943578  0.35070369  0.24928456  1.0
  Ir  Ir21  1  0.34943578  0.64929631  0.74928456  1.0
  Ru  Ru22  1  0.85042028  0.14984464  0.24984310  1.0
  Ru  Ru23  1  0.85042028  0.85015536  0.74984310  1.0
  Ru  Ru24  1  0.15091716  0.15053459  0.75017971  1.0
  Ru  Ru25  1  0.15091716  0.84946541  0.25017971  1.0
  Ru  Ru26  1  0.64791287  0.35084310  0.75085711  1.0
  Ru  Ru27  1  0.64791287  0.64915690  0.25085711  1.0
  Ru  Ru28  1  0.50058227  0.99952347  0.12349280  1.0
  Ru  Ru29  1  0.50058227  0.00047653  0.62349280  1.0
  Ru  Ru30  1  0.99964969  0.49991575  0.87649860  1.0
  Ru  Ru31  1  0.99964969  0.50008425  0.37649860  1.0