# generated using pymatgen
data_Zr6Al13Si3Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65996843
_cell_length_b   8.63362602
_cell_length_c   8.65996868
_cell_angle_alpha   59.89902044
_cell_angle_beta   60.00000280
_cell_angle_gamma   59.89902386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Al13Si3Ir7
_chemical_formula_sum   'Zr6 Al13 Si3 Ir7'
_cell_volume   457.13695381
_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
  Zr  Zr0  1  0.68975657  0.31087194  0.30961791  1.0
  Zr  Zr1  1  0.31056378  0.68988335  0.68899110  1.0
  Zr  Zr2  1  0.31056378  0.68988335  0.31056378  1.0
  Zr  Zr3  1  0.30961791  0.31087194  0.68975657  1.0
  Zr  Zr4  1  0.68975657  0.31087194  0.68975657  1.0
  Zr  Zr5  1  0.68899110  0.68988335  0.31056378  1.0
  Al  Al6  1  0.33866647  0.98399859  0.33866647  1.0
  Al  Al7  1  0.66447352  0.66376232  0.66447352  1.0
  Al  Al8  1  0.66447352  0.66376232  0.00729065  1.0
  Al  Al9  1  0.66455937  0.00632190  0.66455937  1.0
  Al  Al10  1  0.00729065  0.66376232  0.66447352  1.0
  Al  Al11  1  0.12186012  0.11920909  0.12186012  1.0
  Al  Al12  1  0.12186012  0.11920909  0.63707067  1.0
  Al  Al13  1  0.63707067  0.11920909  0.12186012  1.0
  Al  Al14  1  0.12210197  0.63369408  0.12210197  1.0
  Al  Al15  1  0.88022677  0.88045281  0.88022677  1.0
  Al  Al16  1  0.88022677  0.88045281  0.35909365  1.0
  Al  Al17  1  0.88065227  0.35804219  0.88065227  1.0
  Al  Al18  1  0.35909365  0.88045281  0.88022677  1.0
  Si  Si19  1  0.34597761  0.34356347  0.34597761  1.0
  Si  Si20  1  0.34597761  0.34356347  0.96448031  1.0
  Si  Si21  1  0.96448031  0.34356347  0.34597761  1.0
  Ir  Ir22  1  0.00040544  0.99878467  0.00040544  1.0
  Ir  Ir23  1  0.49570046  0.00788051  0.00071657  1.0
  Ir  Ir24  1  0.00842210  0.49076403  0.49239177  1.0
  Ir  Ir25  1  0.00842210  0.49076303  0.00842210  1.0
  Ir  Ir26  1  0.00071657  0.00788051  0.49570046  1.0
  Ir  Ir27  1  0.49570146  0.00788051  0.49570146  1.0
  Ir  Ir28  1  0.49239177  0.49076403  0.00842210  1.0