# generated using pymatgen
data_ErTh2(SnRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50320295
_cell_length_b   7.19313474
_cell_length_c   4.14068570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.64215086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh2(SnRu)3
_chemical_formula_sum   'Er1 Th2 Sn3 Ru3'
_cell_volume   196.13220077
_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  1.00000000  0.40726253  0.50000000  1.0
  Th  Th1  1  0.58854188  0.58504818  0.50000000  1.0
  Th  Th2  1  0.41145812  0.99650631  0.50000000  1.0
  Sn  Sn3  1  0.00000000  0.73437205  0.00000000  1.0
  Sn  Sn4  1  0.23375633  0.25077418  0.00000000  1.0
  Sn  Sn5  1  0.76624367  0.01701784  0.00000000  1.0
  Ru  Ru6  1  0.36046016  0.68933161  0.00000000  1.0
  Ru  Ru7  1  0.63953984  0.32887045  0.00000000  1.0
  Ru  Ru8  1  0.00000000  0.99081585  0.50000000  1.0