# generated using pymatgen
data_Er3Al12(IrRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73548440
_cell_length_b   8.73681586
_cell_length_c   9.43434895
_cell_angle_alpha   89.99999833
_cell_angle_beta   90.13486503
_cell_angle_gamma   120.00504328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Al12(IrRu)2
_chemical_formula_sum   'Er6 Al24 Ir4 Ru4'
_cell_volume   623.53245734
_cell_formula_units_Z   2
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  0.19359676  0.38620910  0.25034070  1.0
  Er  Er1  1  0.80640324  0.61379090  0.74965930  1.0
  Er  Er2  1  0.61277563  0.80638781  0.25106649  1.0
  Er  Er3  1  0.38722437  0.19361219  0.74893351  1.0
  Er  Er4  1  0.19359676  0.80738766  0.25034070  1.0
  Er  Er5  1  0.80640324  0.19261234  0.74965930  1.0
  Al  Al6  1  0.33364840  0.66682470  0.02131922  1.0
  Al  Al7  1  0.66635160  0.33317530  0.97868078  1.0
  Al  Al8  1  0.66472914  0.33236407  0.52034255  1.0
  Al  Al9  1  0.33527086  0.66763593  0.47965745  1.0
  Al  Al10  1  0.16424078  0.32615297  0.57746562  1.0
  Al  Al11  1  0.83575922  0.67384703  0.42253438  1.0
  Al  Al12  1  0.67411078  0.83705539  0.57865508  1.0
  Al  Al13  1  0.83725756  0.67451835  0.07775699  1.0
  Al  Al14  1  0.32588922  0.16294461  0.42134492  1.0
  Al  Al15  1  0.16274244  0.32548165  0.92224301  1.0
  Al  Al16  1  0.16424078  0.83808781  0.57746562  1.0
  Al  Al17  1  0.32575949  0.16287975  0.07744135  1.0
  Al  Al18  1  0.83575922  0.16191219  0.42253438  1.0
  Al  Al19  1  0.67424051  0.83712025  0.92255865  1.0
  Al  Al20  1  0.83725756  0.16273820  0.07775699  1.0
  Al  Al21  1  0.16274244  0.83726180  0.92224301  1.0
  Al  Al22  1  0.56166547  0.12336614  0.25073339  1.0
  Al  Al23  1  0.43833453  0.87663386  0.74926661  1.0
  Al  Al24  1  0.87563335  0.43781718  0.24928311  1.0
  Al  Al25  1  0.12436665  0.56218282  0.75071689  1.0
  Al  Al26  1  0.56166547  0.43829933  0.25073339  1.0
  Al  Al27  1  0.43833453  0.56170067  0.74926661  1.0
  Al  Al28  1  0.00013557  0.00006779  0.24991502  1.0
  Al  Al29  1  0.99986443  0.99993221  0.75008498  1.0
  Ir  Ir30  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir32  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir33  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru34  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru36  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.00000000  0.50000000  1.0