# generated using pymatgen
data_Sc12InNi4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74116899
_cell_length_b   7.74116858
_cell_length_c   7.74116842
_cell_angle_alpha   111.08291771
_cell_angle_beta   110.87427564
_cell_angle_gamma   106.49686105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12InNi4Ir
_chemical_formula_sum   'Sc12 In1 Ni4 Ir1'
_cell_volume   356.38819443
_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  0.42258312  0.22612312  0.19645900  1.0
  Sc  Sc1  1  0.57741688  0.77387688  0.80354100  1.0
  Sc  Sc2  1  0.02966512  0.22612312  0.80354100  1.0
  Sc  Sc3  1  0.97033488  0.77387688  0.19645900  1.0
  Sc  Sc4  1  0.32237367  0.62315000  0.30077433  1.0
  Sc  Sc5  1  0.67762633  0.37685000  0.69922567  1.0
  Sc  Sc6  1  0.32237367  0.02159834  0.69922567  1.0
  Sc  Sc7  1  0.67762633  0.97840166  0.30077433  1.0
  Sc  Sc8  1  0.18201864  0.27781371  0.45983235  1.0
  Sc  Sc9  1  0.81798136  0.72218529  0.54016765  1.0
  Sc  Sc10  1  0.18201864  0.72218529  0.90420593  1.0
  Sc  Sc11  1  0.81798136  0.27781371  0.09579407  1.0
  In  In12  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni13  1  0.35547838  1.00000000  0.35547838  1.0
  Ni  Ni14  1  0.64452162  0.00000000  0.64452162  1.0
  Ni  Ni15  1  0.12319010  0.62319010  0.50000000  1.0
  Ni  Ni16  1  0.87680990  0.37680990  0.50000000  1.0
  Ir  Ir17  1  0.00000000  0.00000000  0.00000000  1.0