data_InSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   149.65
_cell_angle_beta   139.38
_cell_angle_gamma   51.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiRu2
_chemical_formula_sum   'In1 Si1 Ru2'
_cell_volume   63.67
_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  0.52  0.0  0.99  1.0
  Si  Si3  1  0.0  0.0  0.54  1.0
  Ru  Ru1  1  0.0  0.0  0.2  1.0
  Ru  Ru2  1  0.0  0.01  0.15  1.0

data_InSiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.02
_cell_length_c   5.79
_cell_angle_alpha   110.31
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiRu2
_chemical_formula_sum   'In1 Si1 Ru2'
_cell_volume   63.67
_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  0.53  0.01  0.53  1.0
  Si  Si1  1  0.46  0.46  0.46  1.0
  Ru  Ru2  1  0.8  0.8  0.8  1.0
  Ru  Ru3  1  0.85  0.86  0.86  1.0

In Si Ru Ru