# generated using pymatgen
data_Er9Th(Al2Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28222671
_cell_length_b   8.28222699
_cell_length_c   8.24711258
_cell_angle_alpha   109.44297937
_cell_angle_beta   109.58527664
_cell_angle_gamma   109.55760233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er9Th(Al2Ru3)2
_chemical_formula_sum   'Er9 Th1 Al4 Ru6'
_cell_volume   434.55758290
_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  0.78195059  0.78685038  0.78513046  1.0
  Er  Er1  1  0.31971115  0.56971115  0.75000000  1.0
  Er  Er2  1  0.75215768  0.32199140  0.57135728  1.0
  Er  Er3  1  0.57089155  0.74857555  0.31819352  1.0
  Er  Er4  1  0.71229461  0.49709657  0.99741857  1.0
  Er  Er5  1  0.99967900  0.71487604  0.50258143  1.0
  Er  Er6  1  0.50172091  0.99682113  0.71486954  1.0
  Er  Er7  1  0.25063412  0.18080041  0.92864272  1.0
  Er  Er8  1  0.93038103  0.25269703  0.18180648  1.0
  Th  Th9  1  0.18953415  0.93953415  0.25000000  1.0
  Al  Al10  1  0.41517331  0.41937033  0.41237478  1.0
  Al  Al11  1  0.08851622  0.49357157  0.99981692  1.0
  Al  Al12  1  0.99375465  0.08870030  0.50018308  1.0
  Al  Al13  1  0.50699456  0.00279854  0.08762522  1.0
  Ru  Ru14  1  0.87523449  0.12523449  0.75000000  1.0
  Ru  Ru15  1  0.74813961  0.87253844  0.12292702  1.0
  Ru  Ru16  1  0.12837670  0.75505423  0.89229068  1.0
  Ru  Ru17  1  0.24961142  0.62521358  0.37707298  1.0
  Ru  Ru18  1  0.36276456  0.23608602  0.60770932  1.0
  Ru  Ru19  1  0.62247870  0.37247870  0.25000000  1.0