# generated using pymatgen
data_Er7Th(AlRu)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06040638
_cell_length_b   6.93718638
_cell_length_c   15.82637986
_cell_angle_alpha   90.44796592
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er7Th(AlRu)8
_chemical_formula_sum   'Er7 Th1 Al8 Ru8'
_cell_volume   445.78061162
_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  0.75000000  0.96238866  0.21897753  1.0
  Er  Er1  1  0.25000000  0.15924792  0.55983353  1.0
  Er  Er2  1  0.75000000  0.84270609  0.43442214  1.0
  Er  Er3  1  0.75000000  0.46259621  0.28126120  1.0
  Er  Er4  1  0.75000000  0.33901608  0.06550212  1.0
  Er  Er5  1  0.25000000  0.65752626  0.94016576  1.0
  Er  Er6  1  0.25000000  0.03898953  0.78308482  1.0
  Th  Th7  1  0.25000000  0.53466154  0.72116749  1.0
  Al  Al8  1  0.75000000  0.50688131  0.56030482  1.0
  Al  Al9  1  0.75000000  0.35695806  0.85604345  1.0
  Al  Al10  1  0.75000000  0.99602255  0.93647077  1.0
  Al  Al11  1  0.75000000  0.87409967  0.64841067  1.0
  Al  Al12  1  0.25000000  0.49973481  0.43234837  1.0
  Al  Al13  1  0.25000000  0.99509178  0.06754752  1.0
  Al  Al14  1  0.25000000  0.63351482  0.15157969  1.0
  Al  Al15  1  0.25000000  0.13634290  0.34832419  1.0
  Ru  Ru16  1  0.75000000  0.74224841  0.80896315  1.0
  Ru  Ru17  1  0.25000000  0.23020767  0.93882971  1.0
  Ru  Ru18  1  0.75000000  0.26424297  0.43589805  1.0
  Ru  Ru19  1  0.25000000  0.75565144  0.31209642  1.0
  Ru  Ru20  1  0.75000000  0.76178544  0.06494031  1.0
  Ru  Ru21  1  0.75000000  0.25499976  0.68400892  1.0
  Ru  Ru22  1  0.25000000  0.25485932  0.18760970  1.0
  Ru  Ru23  1  0.25000000  0.74022583  0.56221170  1.0