# generated using pymatgen
data_Sm2NiRuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11992437
_cell_length_b   4.11992568
_cell_length_c   8.62369258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2NiRuI
_chemical_formula_sum   'Sm2 Ni1 Ru1 I1'
_cell_volume   126.76592661
_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  0.00000000  0.00000000  0.20907698  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.79092302  1.0
  Ni  Ni2  1  0.66666700  0.33333300  0.00000000  1.0
  Ru  Ru3  1  0.33333300  0.66666700  0.00000000  1.0
  I  I4  1  0.66666700  0.33333300  0.50000000  1.0