# generated using pymatgen
data_Er4Al18(CuRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49921438
_cell_length_b   7.49921433
_cell_length_c   9.33650555
_cell_angle_alpha   89.88147802
_cell_angle_beta   89.88148164
_cell_angle_gamma   119.79437316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4Al18(CuRu)3
_chemical_formula_sum   'Er4 Al18 Cu3 Ru3'
_cell_volume   455.65798049
_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  0.99288842  0.67133381  0.25035609  1.0
  Er  Er1  1  0.00512137  0.32820108  0.74965871  1.0
  Er  Er2  1  0.67179892  0.99487863  0.25034129  1.0
  Er  Er3  1  0.32866619  0.00711158  0.74964391  1.0
  Al  Al4  1  0.12931993  0.12746185  0.25114385  1.0
  Al  Al5  1  0.87253815  0.87068007  0.74885615  1.0
  Al  Al6  1  0.00369611  0.33825668  0.07597817  1.0
  Al  Al7  1  0.00130531  0.66631510  0.92386169  1.0
  Al  Al8  1  0.00036679  0.65972363  0.57306025  1.0
  Al  Al9  1  0.34027637  0.99963321  0.42693975  1.0
  Al  Al10  1  0.00010816  0.33866414  0.42623740  1.0
  Al  Al11  1  0.66133586  0.99989184  0.57376260  1.0
  Al  Al12  1  0.66174332  0.99630389  0.92402183  1.0
  Al  Al13  1  0.33368490  0.99869469  0.07613831  1.0
  Al  Al14  1  0.33676105  0.33570152  0.54750723  1.0
  Al  Al15  1  0.66429848  0.66323895  0.45249277  1.0
  Al  Al16  1  0.66236979  0.66630720  0.05489747  1.0
  Al  Al17  1  0.33369280  0.33763021  0.94510253  1.0
  Al  Al18  1  0.33906760  0.55068796  0.25058597  1.0
  Al  Al19  1  0.66272087  0.45204008  0.74675613  1.0
  Al  Al20  1  0.54795992  0.33727913  0.25324387  1.0
  Al  Al21  1  0.44931204  0.66093240  0.74941403  1.0
  Cu  Cu22  1  0.67239560  0.32760440  1.00000000  1.0
  Cu  Cu23  1  0.99880547  0.00119453  0.00000000  1.0
  Cu  Cu24  1  0.00148230  0.99851770  0.50000000  1.0
  Ru  Ru25  1  0.32706008  0.67293992  1.00000000  1.0
  Ru  Ru26  1  0.32870049  0.67129951  0.50000000  1.0
  Ru  Ru27  1  0.67252372  0.32747628  0.50000000  1.0