# generated using pymatgen
data_Sc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69136518
_cell_length_b   8.69136372
_cell_length_c   8.69136591
_cell_angle_alpha   59.99999168
_cell_angle_beta   59.99999723
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ir
_chemical_formula_sum   'Sc16 Ir8'
_cell_volume   464.24680383
_cell_formula_units_Z   8
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  0.12500000  0.62500000  0.62500000  1.0
  Sc  Sc1  1  0.62500000  0.12500000  0.62500000  1.0
  Sc  Sc2  1  0.62500000  0.62500000  0.12500000  1.0
  Sc  Sc3  1  0.62500000  0.62500000  0.62500000  1.0
  Sc  Sc4  1  0.81155194  0.81155094  0.18844906  1.0
  Sc  Sc5  1  0.18844906  0.18844906  0.81155094  1.0
  Sc  Sc6  1  0.81155194  0.18844906  0.81155094  1.0
  Sc  Sc7  1  0.18844906  0.81155094  0.18844806  1.0
  Sc  Sc8  1  0.18844906  0.81155094  0.81155194  1.0
  Sc  Sc9  1  0.81155194  0.18844906  0.18844806  1.0
  Sc  Sc10  1  0.43844806  0.43844906  0.06155094  1.0
  Sc  Sc11  1  0.06155094  0.06155094  0.43844906  1.0
  Sc  Sc12  1  0.43844806  0.06155094  0.43844906  1.0
  Sc  Sc13  1  0.06155094  0.43844906  0.06155194  1.0
  Sc  Sc14  1  0.06155094  0.43844906  0.43844806  1.0
  Sc  Sc15  1  0.43844806  0.06155094  0.06155194  1.0
  Ir  Ir16  1  0.77230144  0.40923252  0.40923252  1.0
  Ir  Ir17  1  0.40923252  0.77230144  0.40923252  1.0
  Ir  Ir18  1  0.40923252  0.40923252  0.77230144  1.0
  Ir  Ir19  1  0.40923252  0.40923252  0.40923252  1.0
  Ir  Ir20  1  0.47769856  0.84076748  0.84076748  1.0
  Ir  Ir21  1  0.84076748  0.47769856  0.84076748  1.0
  Ir  Ir22  1  0.84076748  0.84076748  0.47769856  1.0
  Ir  Ir23  1  0.84076748  0.84076748  0.84076748  1.0