data_SiNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.73
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiRu2
_chemical_formula_sum   'Si1 Ni1 Ru2'
_cell_volume   51.89
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.51  0.0  0.51  1.0
  Ru  Ru1  1  0.0  0.86  0.8  1.0
  Ru  Ru2  1  0.79  0.86  0.23  1.0

data_SiNiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.73
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiRu2
_chemical_formula_sum   'Si1 Ni1 Ru2'
_cell_volume   51.89
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.51  0.0  0.51  1.0
  Ru  Ru2  1  0.0  0.86  0.8  1.0
  Ru  Ru3  1  0.79  0.86  0.23  1.0

Si Ni Ru Ru