# generated using pymatgen
data_Er5Th3(CdRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.60823276
_cell_length_b   9.67240351
_cell_length_c   9.67240433
_cell_angle_alpha   59.56154493
_cell_angle_beta   60.21922232
_cell_angle_gamma   60.21922177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Th3(CdRu)2
_chemical_formula_sum   'Er10 Th6 Cd4 Ru4'
_cell_volume   635.56408571
_cell_formula_units_Z   2
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  0.44203377  0.05796623  0.44203377  1.0
  Er  Er1  1  0.05796623  0.44203377  0.05796623  1.0
  Er  Er2  1  0.44203377  0.44203377  0.05796623  1.0
  Er  Er3  1  0.05796623  0.05796623  0.44203377  1.0
  Er  Er4  1  0.18125580  0.81874420  0.81874420  1.0
  Er  Er5  1  0.81874420  0.18125580  0.18125580  1.0
  Er  Er6  1  0.81263299  0.18736701  0.81263299  1.0
  Er  Er7  1  0.18736701  0.81263299  0.18736701  1.0
  Er  Er8  1  0.81263299  0.81263299  0.18736701  1.0
  Er  Er9  1  0.18736701  0.18736701  0.81263299  1.0
  Th  Th10  1  0.59327899  0.60174635  0.60174635  1.0
  Th  Th11  1  0.60174635  0.59327899  0.20323032  1.0
  Th  Th12  1  0.60174635  0.20323032  0.59327899  1.0
  Th  Th13  1  0.20323032  0.60174635  0.60174635  1.0
  Th  Th14  1  0.06655557  0.43344443  0.43344443  1.0
  Th  Th15  1  0.43344443  0.06655557  0.06655557  1.0
  Cd  Cd16  1  0.83435984  0.83167713  0.83167713  1.0
  Cd  Cd17  1  0.83167713  0.83435984  0.50228490  1.0
  Cd  Cd18  1  0.83167713  0.50228490  0.83435984  1.0
  Cd  Cd19  1  0.50228490  0.83167713  0.83167713  1.0
  Ru  Ru20  1  0.37858531  0.39784102  0.39784102  1.0
  Ru  Ru21  1  0.39784102  0.37858531  0.82573265  1.0
  Ru  Ru22  1  0.39784102  0.82573265  0.37858531  1.0
  Ru  Ru23  1  0.82573265  0.39784102  0.39784102  1.0