# generated using pymatgen
data_Er4Th3Sn23Ru6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83470473
_cell_length_b   9.83470564
_cell_length_c   10.08968673
_cell_angle_alpha   90.29998409
_cell_angle_beta   89.70001664
_cell_angle_gamma   119.86726991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4Th3Sn23Ru6
_chemical_formula_sum   'Er4 Th3 Sn23 Ru6'
_cell_volume   846.25717469
_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  0.48425967  0.96530863  0.30238169  1.0
  Er  Er1  1  0.51574033  0.03469137  0.69761831  1.0
  Er  Er2  1  0.03469137  0.51574033  0.30238169  1.0
  Er  Er3  1  0.96530863  0.48425967  0.69761831  1.0
  Th  Th4  1  0.48243407  0.51756593  0.30625470  1.0
  Th  Th5  1  0.51756593  0.48243407  0.69374530  1.0
  Th  Th6  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn7  1  0.12066868  0.87933132  0.27780065  1.0
  Sn  Sn8  1  0.87933132  0.12066868  0.72219935  1.0
  Sn  Sn9  1  0.11235947  0.23155059  0.28194229  1.0
  Sn  Sn10  1  0.88764053  0.76844941  0.71805771  1.0
  Sn  Sn11  1  0.76844941  0.88764053  0.28194229  1.0
  Sn  Sn12  1  0.23155059  0.11235947  0.71805771  1.0
  Sn  Sn13  1  0.77974505  0.22025495  0.45733960  1.0
  Sn  Sn14  1  0.22025495  0.77974505  0.54266040  1.0
  Sn  Sn15  1  0.78966811  0.56105235  0.45787824  1.0
  Sn  Sn16  1  0.21033189  0.43894765  0.54212176  1.0
  Sn  Sn17  1  0.43894765  0.21033189  0.45787824  1.0
  Sn  Sn18  1  0.56105235  0.78966811  0.54212176  1.0
  Sn  Sn19  1  0.35149023  0.00081057  0.99998314  1.0
  Sn  Sn20  1  0.64850977  0.99918943  0.00001686  1.0
  Sn  Sn21  1  0.00081057  0.35149023  0.00001686  1.0
  Sn  Sn22  1  0.99918943  0.64850977  0.99998314  1.0
  Sn  Sn23  1  0.64994715  0.64994715  0.00000000  1.0
  Sn  Sn24  1  0.35005285  0.35005285  0.00000000  1.0
  Sn  Sn25  1  0.32942712  0.67057288  0.12134345  1.0
  Sn  Sn26  1  0.67057288  0.32942712  0.87865655  1.0
  Sn  Sn27  1  0.33187303  0.66812697  0.82394932  1.0
  Sn  Sn28  1  0.66812697  0.33187303  0.17605068  1.0
  Sn  Sn29  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru30  1  0.83084047  0.16915953  0.19883778  1.0
  Ru  Ru31  1  0.16915953  0.83084047  0.80116222  1.0
  Ru  Ru32  1  0.83005988  0.66309128  0.19980340  1.0
  Ru  Ru33  1  0.16994012  0.33690872  0.80019660  1.0
  Ru  Ru34  1  0.33690872  0.16994012  0.19980340  1.0
  Ru  Ru35  1  0.66309128  0.83005988  0.80019660  1.0