# generated using pymatgen
data_Sc5Al16SnIr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67615138
_cell_length_b   8.74108424
_cell_length_c   8.74108499
_cell_angle_alpha   59.50914922
_cell_angle_beta   60.24542949
_cell_angle_gamma   60.24543257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Al16SnIr7
_chemical_formula_sum   'Sc5 Al16 Sn1 Ir7'
_cell_volume   468.70029689
_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  0.79085684  0.20914316  0.20914316  1.0
  Sc  Sc1  1  0.77365385  0.22634615  0.76690215  1.0
  Sc  Sc2  1  0.77365385  0.76690215  0.22634615  1.0
  Sc  Sc3  1  0.23309785  0.76690215  0.22634615  1.0
  Sc  Sc4  1  0.23309785  0.22634615  0.76690215  1.0
  Al  Al5  1  0.87292818  0.83651704  0.83651704  1.0
  Al  Al6  1  0.84971449  0.82342953  0.47714249  1.0
  Al  Al7  1  0.45403873  0.83651704  0.83651704  1.0
  Al  Al8  1  0.84971449  0.47714249  0.82342953  1.0
  Al  Al9  1  0.17657047  0.15028551  0.15028551  1.0
  Al  Al10  1  0.16348296  0.12707182  0.54596127  1.0
  Al  Al11  1  0.16348296  0.54596127  0.12707182  1.0
  Al  Al12  1  0.52285751  0.15028551  0.15028551  1.0
  Al  Al13  1  0.60631687  0.62403145  0.62403145  1.0
  Al  Al14  1  0.63292821  0.61721873  0.11692386  1.0
  Al  Al15  1  0.14562023  0.62403145  0.62403145  1.0
  Al  Al16  1  0.63292821  0.11692386  0.61721873  1.0
  Al  Al17  1  0.38278127  0.36707179  0.36707179  1.0
  Al  Al18  1  0.37596855  0.39368313  0.85437977  1.0
  Al  Al19  1  0.37596855  0.85437977  0.39368313  1.0
  Al  Al20  1  0.88307614  0.36707179  0.36707179  1.0
  Sn  Sn21  1  0.03249817  0.96750183  0.96750183  1.0
  Ir  Ir22  1  0.51179444  0.48820556  0.48820556  1.0
  Ir  Ir23  1  0.01088961  0.48911039  0.48911039  1.0
  Ir  Ir24  1  0.51088961  0.98911039  0.98911039  1.0
  Ir  Ir25  1  0.51554224  0.99494870  0.48445776  1.0
  Ir  Ir26  1  0.51554224  0.48445776  0.99494870  1.0
  Ir  Ir27  1  0.00505130  0.48445776  0.99494870  1.0
  Ir  Ir28  1  0.00505130  0.99494870  0.48445776  1.0