# generated using pymatgen
data_Sc5Al16PIr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63389328
_cell_length_b   8.70130288
_cell_length_c   8.70130331
_cell_angle_alpha   59.48812799
_cell_angle_beta   60.25594066
_cell_angle_gamma   60.25594656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Al16PIr7
_chemical_formula_sum   'Sc5 Al16 P1 Ir7'
_cell_volume   462.17727766
_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  0.80139173  0.19860827  0.19860827  1.0
  Sc  Sc1  1  0.78907466  0.21092534  0.78331933  1.0
  Sc  Sc2  1  0.78907466  0.78331933  0.21092534  1.0
  Sc  Sc3  1  0.21668067  0.78331933  0.21092534  1.0
  Sc  Sc4  1  0.21668067  0.21092534  0.78331933  1.0
  Al  Al5  1  0.86825715  0.83138868  0.83138868  1.0
  Al  Al6  1  0.84439248  0.82059938  0.49061666  1.0
  Al  Al7  1  0.46896649  0.83138868  0.83138868  1.0
  Al  Al8  1  0.84439248  0.49061666  0.82059938  1.0
  Al  Al9  1  0.17940062  0.15560752  0.15560752  1.0
  Al  Al10  1  0.16861132  0.13174285  0.53103351  1.0
  Al  Al11  1  0.16861132  0.53103351  0.13174285  1.0
  Al  Al12  1  0.50938334  0.15560752  0.15560752  1.0
  Al  Al13  1  0.61181880  0.61909394  0.61909394  1.0
  Al  Al14  1  0.62952334  0.61715905  0.12379426  1.0
  Al  Al15  1  0.14999431  0.61909394  0.61909394  1.0
  Al  Al16  1  0.62952334  0.12379426  0.61715905  1.0
  Al  Al17  1  0.38284095  0.37047666  0.37047666  1.0
  Al  Al18  1  0.38090606  0.38818120  0.85000569  1.0
  Al  Al19  1  0.38090606  0.85000569  0.38818120  1.0
  Al  Al20  1  0.87620574  0.37047666  0.37047666  1.0
  P  P21  1  0.01961127  0.98038873  0.98038873  1.0
  Ir  Ir22  1  0.51153724  0.48846276  0.48846276  1.0
  Ir  Ir23  1  0.01149597  0.48850403  0.48850403  1.0
  Ir  Ir24  1  0.51149597  0.98850403  0.98850403  1.0
  Ir  Ir25  1  0.51433023  0.99472005  0.48566977  1.0
  Ir  Ir26  1  0.51433023  0.48566977  0.99472005  1.0
  Ir  Ir27  1  0.00527995  0.48566977  0.99472005  1.0
  Ir  Ir28  1  0.00527995  0.99472005  0.48566977  1.0