# generated using pymatgen
data_YZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45402464
_cell_length_b   7.44751803
_cell_length_c   9.24786528
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.72084209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr3(Al3Ir)6
_chemical_formula_sum   'Y1 Zr3 Al18 Ir6'
_cell_volume   445.85055827
_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
  Y  Y0  1  0.32899049  0.00683623  0.75000000  1.0
  Zr  Zr1  1  0.99361992  0.67208513  0.25000000  1.0
  Zr  Zr2  1  0.00716693  0.32950204  0.75000000  1.0
  Zr  Zr3  1  0.67140418  0.99334807  0.25000000  1.0
  Al  Al4  1  0.12330647  0.12480177  0.25000000  1.0
  Al  Al5  1  0.87113618  0.87485236  0.75000000  1.0
  Al  Al6  1  0.99830516  0.33466491  0.07612086  1.0
  Al  Al7  1  0.99922213  0.66294169  0.92685467  1.0
  Al  Al8  1  0.99922213  0.66294169  0.57314533  1.0
  Al  Al9  1  0.33498223  0.99898191  0.42089067  1.0
  Al  Al10  1  0.99830516  0.33466491  0.42387914  1.0
  Al  Al11  1  0.66752696  0.00115766  0.57338762  1.0
  Al  Al12  1  0.66752696  0.00115766  0.92661238  1.0
  Al  Al13  1  0.33498223  0.99898191  0.07910933  1.0
  Al  Al14  1  0.33211229  0.33411802  0.55297513  1.0
  Al  Al15  1  0.66759558  0.66754895  0.44252683  1.0
  Al  Al16  1  0.66759558  0.66754895  0.05747317  1.0
  Al  Al17  1  0.33211229  0.33411802  0.94702487  1.0
  Al  Al18  1  0.33824972  0.55222972  0.25000000  1.0
  Al  Al19  1  0.66654421  0.45269571  0.75000000  1.0
  Al  Al20  1  0.55357398  0.33958154  0.25000000  1.0
  Al  Al21  1  0.44727459  0.65595172  0.75000000  1.0
  Ir  Ir22  1  0.67286791  0.32782770  0.00121213  1.0
  Ir  Ir23  1  0.32785688  0.67297691  0.00160997  1.0
  Ir  Ir24  1  0.32785688  0.67297691  0.49839003  1.0
  Ir  Ir25  1  0.67286791  0.32782770  0.49878787  1.0
  Ir  Ir26  1  0.99889901  0.99883861  0.00146015  1.0
  Ir  Ir27  1  0.99889901  0.99883861  0.49853985  1.0