# generated using pymatgen
data_Sm3Y(NbRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76785494
_cell_length_b   5.76785506
_cell_length_c   7.92695490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Y(NbRu3)2
_chemical_formula_sum   'Sm3 Y1 Nb2 Ru6'
_cell_volume   228.38402113
_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
  Sm  Sm0  1  0.33333300  0.66666700  0.44095751  1.0
  Sm  Sm1  1  0.66666700  0.33333300  0.56125017  1.0
  Sm  Sm2  1  0.66666700  0.33333300  0.93998137  1.0
  Y  Y3  1  0.33333300  0.66666700  0.06067503  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.99888937  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.49795246  1.0
  Ru  Ru6  1  0.17082666  0.34165331  0.75051485  1.0
  Ru  Ru7  1  0.17082666  0.82917334  0.75051485  1.0
  Ru  Ru8  1  0.34152530  0.17076365  0.24958284  1.0
  Ru  Ru9  1  0.82923635  0.65847470  0.24958284  1.0
  Ru  Ru10  1  0.65834669  0.82917334  0.75051485  1.0
  Ru  Ru11  1  0.82923635  0.17076365  0.24958284  1.0