# generated using pymatgen
data_Er2Sc5Sn23Ru6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71031361
_cell_length_b   9.72893145
_cell_length_c   9.80922969
_cell_angle_alpha   89.99999947
_cell_angle_beta   90.01960041
_cell_angle_gamma   120.06345055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Sc5Sn23Ru6
_chemical_formula_sum   'Er2 Sc5 Sn23 Ru6'
_cell_volume   802.02124263
_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  0.97423528  0.48711664  0.69837908  1.0
  Er  Er1  1  0.00221631  0.00110765  0.00144387  1.0
  Sc  Sc2  1  0.49000378  0.50857925  0.29885121  1.0
  Sc  Sc3  1  0.51056635  0.49174326  0.70071135  1.0
  Sc  Sc4  1  0.49000378  0.98142453  0.29885121  1.0
  Sc  Sc5  1  0.51056635  0.01882209  0.70071135  1.0
  Sc  Sc6  1  0.01816078  0.50908039  0.30036358  1.0
  Sn  Sn7  1  0.12133453  0.87868321  0.28245026  1.0
  Sn  Sn8  1  0.87987135  0.11754963  0.71734137  1.0
  Sn  Sn9  1  0.12133453  0.24265132  0.28245026  1.0
  Sn  Sn10  1  0.87987135  0.76232071  0.71734137  1.0
  Sn  Sn11  1  0.75561831  0.87780965  0.28163984  1.0
  Sn  Sn12  1  0.24672572  0.12336236  0.71881097  1.0
  Sn  Sn13  1  0.77199873  0.22354105  0.46517414  1.0
  Sn  Sn14  1  0.22967720  0.77667985  0.53199799  1.0
  Sn  Sn15  1  0.77199873  0.54845767  0.46517414  1.0
  Sn  Sn16  1  0.22967720  0.45299735  0.53199799  1.0
  Sn  Sn17  1  0.45244877  0.22622489  0.46615509  1.0
  Sn  Sn18  1  0.54871326  0.77435663  0.53321285  1.0
  Sn  Sn19  1  0.35016065  0.00058186  0.00006166  1.0
  Sn  Sn20  1  0.65110994  0.99993694  0.00004255  1.0
  Sn  Sn21  1  0.00071872  0.34910947  0.00088088  1.0
  Sn  Sn22  1  0.00071872  0.65160925  0.00088088  1.0
  Sn  Sn23  1  0.65110994  0.65117200  0.00004255  1.0
  Sn  Sn24  1  0.35016065  0.34957979  0.00006166  1.0
  Sn  Sn25  1  0.33227503  0.66613752  0.14766509  1.0
  Sn  Sn26  1  0.65646085  0.32822943  0.85685668  1.0
  Sn  Sn27  1  0.33341798  0.66670999  0.83076627  1.0
  Sn  Sn28  1  0.66713271  0.33356535  0.17045833  1.0
  Sn  Sn29  1  0.00202968  0.00101484  0.49886185  1.0
  Ru  Ru30  1  0.82844886  0.17107728  0.20495161  1.0
  Ru  Ru31  1  0.17207432  0.83003620  0.79496111  1.0
  Ru  Ru32  1  0.82844886  0.65737258  0.20495161  1.0
  Ru  Ru33  1  0.17207432  0.34203712  0.79496111  1.0
  Ru  Ru34  1  0.34259038  0.17129569  0.20511617  1.0
  Ru  Ru35  1  0.65605108  0.82802454  0.79542204  1.0