# generated using pymatgen
data_ErHf3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43547889
_cell_length_b   7.42978039
_cell_length_c   9.19036025
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.71104353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErHf3(Al3Ir)6
_chemical_formula_sum   'Er1 Hf3 Al18 Ir6'
_cell_volume   440.96617964
_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  0.32832792  0.00670504  0.75000000  1.0
  Hf  Hf1  1  0.99365740  0.67310873  0.25000000  1.0
  Hf  Hf2  1  0.00663876  0.32857846  0.75000000  1.0
  Hf  Hf3  1  0.67229789  0.99343435  0.25000000  1.0
  Al  Al4  1  0.12422143  0.12542505  0.25000000  1.0
  Al  Al5  1  0.87113750  0.87443753  0.75000000  1.0
  Al  Al6  1  0.99808391  0.33493862  0.07772281  1.0
  Al  Al7  1  0.99971146  0.66299849  0.92549666  1.0
  Al  Al8  1  0.99971146  0.66299849  0.57450334  1.0
  Al  Al9  1  0.33530973  0.99874762  0.41999564  1.0
  Al  Al10  1  0.99808391  0.33493862  0.42227719  1.0
  Al  Al11  1  0.66713693  0.00137772  0.57463349  1.0
  Al  Al12  1  0.66713693  0.00137772  0.92536651  1.0
  Al  Al13  1  0.33530973  0.99874762  0.08000436  1.0
  Al  Al14  1  0.33170152  0.33362172  0.55472265  1.0
  Al  Al15  1  0.66782920  0.66777578  0.44070872  1.0
  Al  Al16  1  0.66782920  0.66777578  0.05929128  1.0
  Al  Al17  1  0.33170152  0.33362172  0.94527735  1.0
  Al  Al18  1  0.33851370  0.55261504  0.25000000  1.0
  Al  Al19  1  0.66574861  0.45167685  0.75000000  1.0
  Al  Al20  1  0.55396891  0.33959294  0.25000000  1.0
  Al  Al21  1  0.44669228  0.65618792  0.75000000  1.0
  Ir  Ir22  1  0.67355214  0.32763561  0.00125971  1.0
  Ir  Ir23  1  0.32748848  0.67327978  0.00169427  1.0
  Ir  Ir24  1  0.32748848  0.67327978  0.49830573  1.0
  Ir  Ir25  1  0.67355214  0.32763561  0.49874029  1.0
  Ir  Ir26  1  0.99858343  0.99874172  0.00164994  1.0
  Ir  Ir27  1  0.99858343  0.99874172  0.49835006  1.0