# generated using pymatgen
data_Er3Hf(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47354329
_cell_length_b   7.46420825
_cell_length_c   9.32135961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.63332085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Hf(Al3Ir)6
_chemical_formula_sum   'Er3 Hf1 Al18 Ir6'
_cell_volume   451.97357422
_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  0.00483836  0.32789683  0.75000000  1.0
  Er  Er1  1  0.67142653  0.99514576  0.25000000  1.0
  Er  Er2  1  0.32908581  0.00543564  0.75000000  1.0
  Hf  Hf3  1  0.99554871  0.67202880  0.25000000  1.0
  Al  Al4  1  0.12807445  0.12515341  0.25000000  1.0
  Al  Al5  1  0.87058867  0.86969302  0.75000000  1.0
  Al  Al6  1  0.00055956  0.33761848  0.07734249  1.0
  Al  Al7  1  0.99911571  0.66514037  0.92837026  1.0
  Al  Al8  1  0.99911571  0.66514037  0.57162974  1.0
  Al  Al9  1  0.33264058  0.99865843  0.42248248  1.0
  Al  Al10  1  0.00055956  0.33761848  0.42265751  1.0
  Al  Al11  1  0.66475083  0.99812492  0.57425605  1.0
  Al  Al12  1  0.66475083  0.99812492  0.92574395  1.0
  Al  Al13  1  0.33264058  0.99865843  0.07751752  1.0
  Al  Al14  1  0.33384318  0.33389428  0.54946725  1.0
  Al  Al15  1  0.66883518  0.66676763  0.44310646  1.0
  Al  Al16  1  0.66883518  0.66676763  0.05689354  1.0
  Al  Al17  1  0.33384318  0.33389428  0.95053275  1.0
  Al  Al18  1  0.33515198  0.54880623  0.25000000  1.0
  Al  Al19  1  0.66059630  0.45197206  0.75000000  1.0
  Al  Al20  1  0.55408715  0.34413321  0.25000000  1.0
  Al  Al21  1  0.45148459  0.65981149  0.75000000  1.0
  Ir  Ir22  1  0.67291606  0.32802526  0.00125952  1.0
  Ir  Ir23  1  0.32766857  0.67273176  0.00172095  1.0
  Ir  Ir24  1  0.32766857  0.67273176  0.49827905  1.0
  Ir  Ir25  1  0.67291606  0.32802526  0.49874048  1.0
  Ir  Ir26  1  0.99923006  0.99900264  0.00153852  1.0
  Ir  Ir27  1  0.99923006  0.99900264  0.49846148  1.0