# generated using pymatgen
data_Er3Zr(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47871079
_cell_length_b   7.47070717
_cell_length_c   9.33506603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.63890599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Zr(Al3Ir)6
_chemical_formula_sum   'Er3 Zr1 Al18 Ir6'
_cell_volume   453.32037577
_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  0.00493306  0.32779619  0.75000000  1.0
  Er  Er1  1  0.67109390  0.99525241  0.25000000  1.0
  Er  Er2  1  0.32893500  0.00552196  0.75000000  1.0
  Zr  Zr3  1  0.99550726  0.67123131  0.25000000  1.0
  Al  Al4  1  0.12748825  0.12498692  0.25000000  1.0
  Al  Al5  1  0.87053633  0.86962830  0.75000000  1.0
  Al  Al6  1  0.00063115  0.33713258  0.07657212  1.0
  Al  Al7  1  0.99924438  0.66520804  0.92812005  1.0
  Al  Al8  1  0.99924438  0.66520804  0.57187995  1.0
  Al  Al9  1  0.33282815  0.99904836  0.42320050  1.0
  Al  Al10  1  0.00063115  0.33713258  0.42342788  1.0
  Al  Al11  1  0.66472059  0.99823654  0.57433831  1.0
  Al  Al12  1  0.66472059  0.99823654  0.92566169  1.0
  Al  Al13  1  0.33282815  0.99904836  0.07679950  1.0
  Al  Al14  1  0.33403639  0.33411396  0.54985315  1.0
  Al  Al15  1  0.66865253  0.66685263  0.44395239  1.0
  Al  Al16  1  0.66865253  0.66685263  0.05604761  1.0
  Al  Al17  1  0.33403639  0.33411396  0.95014685  1.0
  Al  Al18  1  0.33539494  0.54866886  0.25000000  1.0
  Al  Al19  1  0.66082623  0.45199467  0.75000000  1.0
  Al  Al20  1  0.55341343  0.34344258  0.25000000  1.0
  Al  Al21  1  0.45153156  0.65997386  0.75000000  1.0
  Ir  Ir22  1  0.67266947  0.32774537  0.00096581  1.0
  Ir  Ir23  1  0.32794847  0.67275977  0.00136128  1.0
  Ir  Ir24  1  0.32794847  0.67275977  0.49863872  1.0
  Ir  Ir25  1  0.67266947  0.32774537  0.49903419  1.0
  Ir  Ir26  1  0.99943939  0.99965522  0.00095968  1.0
  Ir  Ir27  1  0.99943939  0.99965522  0.49904032  1.0