# generated using pymatgen
data_Sc3Si3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04971400
_cell_length_b   10.19723300
_cell_length_c   11.65464600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Si3Ir
_chemical_formula_sum   'Sc12 Si12 Ir4'
_cell_volume   481.28883051
_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  0.87709600  0.01977800  1.0
  Sc  Sc1  1  0.25000000  0.62290400  0.51977800  1.0
  Sc  Sc2  1  0.75000000  0.12290400  0.98022200  1.0
  Sc  Sc3  1  0.75000000  0.37709600  0.48022200  1.0
  Sc  Sc4  1  0.25000000  0.91985500  0.60209600  1.0
  Sc  Sc5  1  0.25000000  0.58014500  0.10209600  1.0
  Sc  Sc6  1  0.75000000  0.08014500  0.39790400  1.0
  Sc  Sc7  1  0.75000000  0.41985500  0.89790400  1.0
  Sc  Sc8  1  0.25000000  0.65875900  0.79950600  1.0
  Sc  Sc9  1  0.25000000  0.84124100  0.29950600  1.0
  Sc  Sc10  1  0.75000000  0.34124100  0.20049400  1.0
  Sc  Sc11  1  0.75000000  0.15875900  0.70049400  1.0
  Si  Si12  1  0.25000000  0.01380900  0.82159700  1.0
  Si  Si13  1  0.25000000  0.48619100  0.32159700  1.0
  Si  Si14  1  0.75000000  0.98619100  0.17840300  1.0
  Si  Si15  1  0.75000000  0.51380900  0.67840300  1.0
  Si  Si16  1  0.25000000  0.24922200  0.84219700  1.0
  Si  Si17  1  0.25000000  0.25077800  0.34219700  1.0
  Si  Si18  1  0.75000000  0.75077800  0.15780300  1.0
  Si  Si19  1  0.75000000  0.74922200  0.65780300  1.0
  Si  Si20  1  0.25000000  0.19267000  0.54541200  1.0
  Si  Si21  1  0.25000000  0.30733000  0.04541200  1.0
  Si  Si22  1  0.75000000  0.80733000  0.45458800  1.0
  Si  Si23  1  0.75000000  0.69267000  0.95458800  1.0
  Ir  Ir24  1  0.25000000  0.38940500  0.67651100  1.0
  Ir  Ir25  1  0.25000000  0.11059500  0.17651100  1.0
  Ir  Ir26  1  0.75000000  0.61059500  0.32348900  1.0
  Ir  Ir27  1  0.75000000  0.88940500  0.82348900  1.0