# generated using pymatgen
data_Tm16Sc4(Ir3Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52096334
_cell_length_b   10.52096334
_cell_length_c   6.24009686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm16Sc4(Ir3Ru)3
_chemical_formula_sum   'Tm16 Sc4 Ir9 Ru3'
_cell_volume   690.72049947
_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  0.29067181  0.08443826  0.37677395  1.0
  Tm  Tm1  1  0.29077290  0.91606792  0.87711608  1.0
  Tm  Tm2  1  0.70922710  0.08393208  0.87711608  1.0
  Tm  Tm3  1  0.70932819  0.91556174  0.37677395  1.0
  Tm  Tm4  1  0.58393208  0.79077290  0.87711608  1.0
  Tm  Tm5  1  0.58443826  0.20932819  0.37677395  1.0
  Tm  Tm6  1  0.41556174  0.79067181  0.37677395  1.0
  Tm  Tm7  1  0.41606792  0.20922710  0.87711608  1.0
  Tm  Tm8  1  0.21120650  0.41494996  0.62548242  1.0
  Tm  Tm9  1  0.21074039  0.58527106  0.12210606  1.0
  Tm  Tm10  1  0.78925961  0.41472894  0.12210606  1.0
  Tm  Tm11  1  0.78879350  0.58505004  0.62548242  1.0
  Tm  Tm12  1  0.91472894  0.71074039  0.12210606  1.0
  Tm  Tm13  1  0.91494996  0.28879350  0.62548242  1.0
  Tm  Tm14  1  0.08505004  0.71120650  0.62548242  1.0
  Tm  Tm15  1  0.08527106  0.28925961  0.12210606  1.0
  Sc  Sc16  1  0.00000000  0.00000000  0.49793808  1.0
  Sc  Sc17  1  0.00000000  0.00000000  0.99804811  1.0
  Sc  Sc18  1  0.50000000  0.50000000  0.99804811  1.0
  Sc  Sc19  1  0.50000000  0.50000000  0.49793808  1.0
  Ir  Ir20  1  0.85125896  0.14914525  0.24933232  1.0
  Ir  Ir21  1  0.85093192  0.85089481  0.74899049  1.0
  Ir  Ir22  1  0.14906808  0.14910519  0.74899049  1.0
  Ir  Ir23  1  0.14874104  0.85085475  0.24933232  1.0
  Ir  Ir24  1  0.64910519  0.35093192  0.74899049  1.0
  Ir  Ir25  1  0.64914525  0.64874104  0.24933232  1.0
  Ir  Ir26  1  0.35085475  0.35125896  0.24933232  1.0
  Ir  Ir27  1  0.35089481  0.64906808  0.74899049  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.37660794  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.12844221  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.62814835  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.87562480  1.0