# generated using pymatgen
data_ErZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44781763
_cell_length_b   7.44391200
_cell_length_c   9.23531929
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.72512441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErZr3(Al3Ir)6
_chemical_formula_sum   'Er1 Zr3 Al18 Ir6'
_cell_volume   444.64056414
_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
  Er  Er0  1  0.32873966  0.00671108  0.25000000  1.0
  Zr  Zr1  1  0.99387886  0.67218533  0.75000000  1.0
  Zr  Zr2  1  0.00696481  0.32931246  0.25000000  1.0
  Zr  Zr3  1  0.67125184  0.99341273  0.75000000  1.0
  Al  Al4  1  0.12344002  0.12473214  0.75000000  1.0
  Al  Al5  1  0.87174484  0.87478080  0.25000000  1.0
  Al  Al6  1  0.99840926  0.33466430  0.57600664  1.0
  Al  Al7  1  0.99976350  0.66345202  0.42586225  1.0
  Al  Al8  1  0.99976350  0.66345202  0.07413775  1.0
  Al  Al9  1  0.33500571  0.99905021  0.92167574  1.0
  Al  Al10  1  0.99840926  0.33466430  0.92399336  1.0
  Al  Al11  1  0.66698966  0.00112939  0.07434027  1.0
  Al  Al12  1  0.66698966  0.00112939  0.42565973  1.0
  Al  Al13  1  0.33500571  0.99905021  0.57832426  1.0
  Al  Al14  1  0.33218134  0.33373542  0.05423412  1.0
  Al  Al15  1  0.66764599  0.66754383  0.94281930  1.0
  Al  Al16  1  0.66764599  0.66754383  0.55718070  1.0
  Al  Al17  1  0.33218134  0.33373542  0.44576588  1.0
  Al  Al18  1  0.33829201  0.55211881  0.75000000  1.0
  Al  Al19  1  0.66544073  0.45173486  0.25000000  1.0
  Al  Al20  1  0.55347272  0.33941702  0.75000000  1.0
  Al  Al21  1  0.44712824  0.65688775  0.25000000  1.0
  Ir  Ir22  1  0.67276607  0.32765439  0.50087590  1.0
  Ir  Ir23  1  0.32780162  0.67308499  0.50133101  1.0
  Ir  Ir24  1  0.32780162  0.67308499  0.99866899  1.0
  Ir  Ir25  1  0.67276607  0.32765439  0.99912410  1.0
  Ir  Ir26  1  0.99925899  0.99903797  0.50106854  1.0
  Ir  Ir27  1  0.99925899  0.99903797  0.99893146  1.0