# generated using pymatgen
data_Si12P12Ir3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97333034
_cell_length_b   6.10167261
_cell_length_c   13.04966911
_cell_angle_alpha   89.55907627
_cell_angle_beta   91.22063324
_cell_angle_gamma   90.85433782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si12P12Ir3Au
_chemical_formula_sum   'Si12 P12 Ir3 Au1'
_cell_volume   475.45154351
_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
  Si  Si0  1  0.96195930  0.13562907  0.31478769  1.0
  Si  Si1  1  0.45676670  0.84440040  0.68239296  1.0
  Si  Si2  1  0.93908685  0.62447257  0.20656535  1.0
  Si  Si3  1  0.42639014  0.36922141  0.78744605  1.0
  Si  Si4  1  0.34166975  0.91436703  0.95046894  1.0
  Si  Si5  1  0.84453892  0.07860560  0.04859014  1.0
  Si  Si6  1  0.90923625  0.53082868  0.67314439  1.0
  Si  Si7  1  0.45160877  0.47894987  0.32371166  1.0
  Si  Si8  1  0.98103038  0.06468749  0.57133037  1.0
  Si  Si9  1  0.47818710  0.94927721  0.43140812  1.0
  Si  Si10  1  0.90679292  0.61961082  0.92666656  1.0
  Si  Si11  1  0.41179459  0.37542497  0.07214933  1.0
  P  P12  1  0.57552440  0.02889519  0.82651337  1.0
  P  P13  1  0.09069285  0.96543912  0.17370695  1.0
  P  P14  1  0.51872776  0.55903501  0.93021567  1.0
  P  P15  1  0.02606798  0.43206189  0.06808208  1.0
  P  P16  1  0.60063048  0.12020148  0.57487510  1.0
  P  P17  1  0.09799721  0.89337949  0.42984800  1.0
  P  P18  1  0.56071657  0.64789346  0.17749294  1.0
  P  P19  1  0.04366639  0.35421548  0.81895365  1.0
  P  P20  1  0.58255829  0.13533671  0.28972521  1.0
  P  P21  1  0.07384965  0.86811380  0.71129277  1.0
  P  P22  1  0.14781589  0.40034513  0.55784634  1.0
  P  P23  1  0.63940411  0.62602222  0.45517307  1.0
  Ir  Ir24  1  0.96428524  0.98263034  0.87945513  1.0
  Ir  Ir25  1  0.47289332  0.01497870  0.12024679  1.0
  Ir  Ir26  1  0.52876907  0.48843225  0.62338527  1.0
  Au  Au27  1  0.06114111  0.49754462  0.37452209  1.0