data_NiSnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   101.56
_cell_angle_beta   101.56
_cell_angle_gamma   37.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnRu2
_chemical_formula_sum   'Ni1 Sn1 Ru2'
_cell_volume   59.96
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.81  0.0  0.39  1.0
  Ru  Ru1  1  0.4  0.0  0.74  1.0
  Ru  Ru2  1  0.21  0.0  0.03  1.0

data_NiSnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   101.56
_cell_angle_beta   90.0
_cell_angle_gamma   108.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnRu2
_chemical_formula_sum   'Ni1 Sn1 Ru2'
_cell_volume   59.96
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.19  0.61  1.0
  Ru  Ru2  1  0.0  0.6  0.26  1.0
  Ru  Ru3  1  0.0  0.79  0.97  1.0

Ni Sn Ru Ru