data_InSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   33.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiRu2
_chemical_formula_sum   'In1 Si1 Ru2'
_cell_volume   63.59
_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
  In  In0  1  0.21  0.0  0.27  1.0
  Si  Si3  1  0.0  0.0  0.62  1.0
  Ru  Ru1  1  0.0  0.0  0.7  1.0
  Ru  Ru2  1  0.21  0.0  0.84  1.0

data_InSiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.42
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiRu2
_chemical_formula_sum   'In1 Si1 Ru2'
_cell_volume   63.59
_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
  In  In0  1  0.73  0.21  0.73  1.0
  Si  Si1  1  0.38  0.0  0.38  1.0
  Ru  Ru2  1  0.16  0.21  0.16  1.0
  Ru  Ru3  1  0.3  0.0  0.3  1.0

In Si Ru Ru