# generated using pymatgen
data_Th3Sc(InIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45476934
_cell_length_b   7.02484165
_cell_length_c   8.43178935
_cell_angle_alpha   89.47049017
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(InIr)4
_chemical_formula_sum   'Th3 Sc1 In4 Ir4'
_cell_volume   263.85356239
_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
  Th  Th0  1  0.25000000  0.96116561  0.32192778  1.0
  Th  Th1  1  0.25000000  0.46322870  0.17080178  1.0
  Th  Th2  1  0.75000000  0.04056086  0.67792998  1.0
  Sc  Sc3  1  0.75000000  0.53573774  0.83338062  1.0
  In  In4  1  0.25000000  0.37363867  0.56724467  1.0
  In  In5  1  0.25000000  0.85171568  0.93272445  1.0
  In  In6  1  0.75000000  0.63309885  0.44873676  1.0
  In  In7  1  0.75000000  0.13768856  0.05365446  1.0
  Ir  Ir8  1  0.25000000  0.26509005  0.87963279  1.0
  Ir  Ir9  1  0.25000000  0.76359669  0.61921654  1.0
  Ir  Ir10  1  0.75000000  0.73635564  0.12117383  1.0
  Ir  Ir11  1  0.75000000  0.23812194  0.37357835  1.0