# generated using pymatgen
data_Er2(ThRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59557588
_cell_length_b   8.15864065
_cell_length_c   8.15889624
_cell_angle_alpha   119.99896627
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2(ThRu)3
_chemical_formula_sum   'Er4 Th6 Ru6'
_cell_volume   380.22186813
_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  0.50000112  0.33329828  0.66660577  1.0
  Er  Er1  1  0.50000112  0.66669351  0.33339423  1.0
  Er  Er2  1  0.00000112  0.66670172  0.33339423  1.0
  Er  Er3  1  0.00000112  0.33330749  0.66660577  1.0
  Th  Th4  1  0.75000147  0.25292640  0.00000000  1.0
  Th  Th5  1  0.74999915  0.74708930  0.74704277  1.0
  Th  Th6  1  0.74999915  0.00004553  0.25295723  1.0
  Th  Th7  1  0.25000147  0.74707360  1.00000000  1.0
  Th  Th8  1  0.24999915  0.25291070  0.25295723  1.0
  Th  Th9  1  0.24999915  0.99995447  0.74704277  1.0
  Ru  Ru10  1  0.74999550  0.62584188  0.00000000  1.0
  Ru  Ru11  1  0.75000074  0.37415579  0.37417179  1.0
  Ru  Ru12  1  0.75000074  0.99998400  0.62582821  1.0
  Ru  Ru13  1  0.24999550  0.37415812  1.00000000  1.0
  Ru  Ru14  1  0.25000074  0.62584421  0.62582821  1.0
  Ru  Ru15  1  0.25000074  0.00001600  0.37417179  1.0