# generated using pymatgen
data_Er3Th(AlRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64195345
_cell_length_b   5.64195380
_cell_length_c   6.96581721
_cell_angle_alpha   88.62713966
_cell_angle_beta   91.37286544
_cell_angle_gamma   116.14627978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Th(AlRu2)2
_chemical_formula_sum   'Er3 Th1 Al2 Ru4'
_cell_volume   198.96451788
_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  0.34051165  0.65948835  0.08371492  1.0
  Er  Er1  1  0.65828399  0.34171601  0.91153665  1.0
  Er  Er2  1  0.16454419  0.83545581  0.59915006  1.0
  Th  Th3  1  0.83243637  0.16756363  0.40999202  1.0
  Al  Al4  1  0.00449885  0.99550115  0.99955076  1.0
  Al  Al5  1  0.49584774  0.50415226  0.50076766  1.0
  Ru  Ru6  1  0.85170017  0.64596518  0.25438991  1.0
  Ru  Ru7  1  0.65549284  0.85734961  0.74325356  1.0
  Ru  Ru8  1  0.14265039  0.34450716  0.74325356  1.0
  Ru  Ru9  1  0.35403482  0.14829983  0.25438991  1.0