# generated using pymatgen
data_Sc3U(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46193599
_cell_length_b   7.46837358
_cell_length_c   9.28765912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.63562365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3U(Al3Ir)6
_chemical_formula_sum   'Sc3 U1 Al18 Ir6'
_cell_volume   449.88070708
_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
  Sc  Sc0  1  0.00327575  0.32876479  0.75000000  1.0
  Sc  Sc1  1  0.67273602  0.99455166  0.25000000  1.0
  Sc  Sc2  1  0.32843957  0.00358964  0.75000000  1.0
  U  U3  1  0.99165178  0.66954056  0.25000000  1.0
  Al  Al4  1  0.12983608  0.13206668  0.25000000  1.0
  Al  Al5  1  0.87634403  0.87807372  0.75000000  1.0
  Al  Al6  1  0.99963653  0.33102963  0.07195223  1.0
  Al  Al7  1  0.00166309  0.66515180  0.91979483  1.0
  Al  Al8  1  0.00166309  0.66515180  0.58020517  1.0
  Al  Al9  1  0.33991907  0.00339927  0.42827866  1.0
  Al  Al10  1  0.99963653  0.33102963  0.42804777  1.0
  Al  Al11  1  0.66534149  0.00195473  0.57687216  1.0
  Al  Al12  1  0.66534149  0.00195473  0.92312784  1.0
  Al  Al13  1  0.33991907  0.00339927  0.07172134  1.0
  Al  Al14  1  0.33073303  0.33073664  0.56061380  1.0
  Al  Al15  1  0.66370184  0.66734016  0.45015644  1.0
  Al  Al16  1  0.66370184  0.66734016  0.04984356  1.0
  Al  Al17  1  0.33073303  0.33073664  0.93938620  1.0
  Al  Al18  1  0.34332653  0.55056350  0.25000000  1.0
  Al  Al19  1  0.65964998  0.44599964  0.75000000  1.0
  Al  Al20  1  0.54523104  0.33659585  0.25000000  1.0
  Al  Al21  1  0.44747150  0.66160973  0.75000000  1.0
  Ir  Ir22  1  0.67259766  0.32814238  0.99979378  1.0
  Ir  Ir23  1  0.32688770  0.67199162  0.00002834  1.0
  Ir  Ir24  1  0.32688770  0.67199162  0.49997166  1.0
  Ir  Ir25  1  0.67259766  0.32814238  0.50020622  1.0
  Ir  Ir26  1  0.00053795  0.99957539  0.00031801  1.0
  Ir  Ir27  1  0.00053795  0.99957539  0.49968199  1.0