data_NbSnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.14
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   91.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnRu2
_chemical_formula_sum   'Nb1 Sn1 Ru2'
_cell_volume   67.03
_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
  Nb  Nb0  1  0.5  0.0  0.17  1.0
  Sn  Sn3  1  0.97  0.07  0.53  1.0
  Ru  Ru1  1  0.82  0.07  0.21  1.0
  Ru  Ru2  1  0.48  0.0  0.5  1.0

data_NbSnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.14
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   91.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnRu2
_chemical_formula_sum   'Nb1 Sn1 Ru2'
_cell_volume   67.03
_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
  Nb  Nb0  1  0.5  0.0  0.17  1.0
  Sn  Sn1  1  0.97  0.07  0.53  1.0
  Ru  Ru2  1  0.48  0.0  0.5  1.0
  Ru  Ru3  1  0.82  0.07  0.21  1.0

Nb Sn Ru Ru