# generated using pymatgen
data_ScSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05940552
_cell_length_b   6.48457528
_cell_length_c   7.27832863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiIr
_chemical_formula_sum   'Sc4 Si4 Ir4'
_cell_volume   191.59123425
_cell_formula_units_Z   4
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  0.25000000  0.00972758  0.31399265  1.0
  Sc  Sc1  1  0.25000000  0.50972758  0.18600735  1.0
  Sc  Sc2  1  0.75000000  0.99027242  0.68600735  1.0
  Sc  Sc3  1  0.75000000  0.49027242  0.81399265  1.0
  Si  Si4  1  0.25000000  0.29079559  0.62052375  1.0
  Si  Si5  1  0.25000000  0.79079559  0.87947625  1.0
  Si  Si6  1  0.75000000  0.70920441  0.37947625  1.0
  Si  Si7  1  0.75000000  0.20920441  0.12052375  1.0
  Ir  Ir8  1  0.25000000  0.16052327  0.93951018  1.0
  Ir  Ir9  1  0.25000000  0.66052327  0.56048982  1.0
  Ir  Ir10  1  0.75000000  0.83947673  0.06048982  1.0
  Ir  Ir11  1  0.75000000  0.33947673  0.43951018  1.0