# generated using pymatgen
data_Sc3Al3Si2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61085133
_cell_length_b   6.61085093
_cell_length_c   4.06242353
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al3Si2Ir
_chemical_formula_sum   'Sc3 Al3 Si2 Ir1'
_cell_volume   153.75546307
_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  0.41694700  1.00000000  0.00000000  1.0
  Sc  Sc1  1  1.00000000  0.41694700  0.00000000  1.0
  Sc  Sc2  1  0.58305300  0.58305200  0.00000000  1.0
  Al  Al3  1  0.76069434  0.00000000  0.50000100  1.0
  Al  Al4  1  0.23930466  0.23930466  0.50000100  1.0
  Al  Al5  1  0.00000000  0.76069434  0.50000100  1.0
  Si  Si6  1  0.66666700  0.33333400  0.50000100  1.0
  Si  Si7  1  0.33333300  0.66666700  0.50000100  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.00000000  1.0