# generated using pymatgen
data_YbZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44604073
_cell_length_b   7.44094421
_cell_length_c   9.26814802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.74441556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbZr3(Al3Ir)6
_chemical_formula_sum   'Yb1 Zr3 Al18 Ir6'
_cell_volume   445.85105225
_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
  Yb  Yb0  1  0.32887539  0.00614889  0.75000000  1.0
  Zr  Zr1  1  0.99603388  0.67365515  0.25000000  1.0
  Zr  Zr2  1  0.00677156  0.32941106  0.75000000  1.0
  Zr  Zr3  1  0.66943330  0.99290001  0.25000000  1.0
  Al  Al4  1  0.12442607  0.12503403  0.25000000  1.0
  Al  Al5  1  0.87065535  0.87550750  0.75000000  1.0
  Al  Al6  1  0.99835838  0.33454875  0.07587892  1.0
  Al  Al7  1  0.00053447  0.66428945  0.92658342  1.0
  Al  Al8  1  0.00053447  0.66428945  0.57341658  1.0
  Al  Al9  1  0.33500590  0.99999487  0.42407597  1.0
  Al  Al10  1  0.99835838  0.33454875  0.42412108  1.0
  Al  Al11  1  0.66628262  0.00111164  0.57387221  1.0
  Al  Al12  1  0.66628262  0.00111164  0.92612779  1.0
  Al  Al13  1  0.33500590  0.99999487  0.07592403  1.0
  Al  Al14  1  0.33215666  0.33320465  0.55464350  1.0
  Al  Al15  1  0.66753941  0.66720107  0.44179663  1.0
  Al  Al16  1  0.66753941  0.66720107  0.05820337  1.0
  Al  Al17  1  0.33215666  0.33320465  0.94535650  1.0
  Al  Al18  1  0.33826817  0.55115948  0.25000000  1.0
  Al  Al19  1  0.66771043  0.45247292  0.75000000  1.0
  Al  Al20  1  0.55311400  0.33905682  0.25000000  1.0
  Al  Al21  1  0.44574080  0.65356879  0.75000000  1.0
  Ir  Ir22  1  0.67337864  0.32864900  0.00167848  1.0
  Ir  Ir23  1  0.32823971  0.67285362  0.00245123  1.0
  Ir  Ir24  1  0.32823971  0.67285362  0.49754877  1.0
  Ir  Ir25  1  0.67337864  0.32864900  0.49832152  1.0
  Ir  Ir26  1  0.99798974  0.99868763  0.00200521  1.0
  Ir  Ir27  1  0.99798974  0.99868763  0.49799479  1.0