data_InSbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   4.63
_cell_angle_alpha   105.51
_cell_angle_beta   105.51
_cell_angle_gamma   35.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSbRu2
_chemical_formula_sum   'In1 Sb1 Ru2'
_cell_volume   69.52
_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  0.45  0.0  0.66  1.0
  Sb  Sb3  1  0.29  0.0  0.9  1.0
  Ru  Ru1  1  0.65  0.0  0.11  1.0
  Ru  Ru2  1  0.01  0.0  0.45  1.0

data_InSbRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.63
_cell_length_c   5.18
_cell_angle_alpha   105.51
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSbRu2
_chemical_formula_sum   'In1 Sb1 Ru2'
_cell_volume   69.52
_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  0.0  0.66  0.45  1.0
  Sb  Sb1  1  0.0  0.9  0.29  1.0
  Ru  Ru2  1  0.0  0.11  0.65  1.0
  Ru  Ru3  1  0.0  0.45  0.01  1.0

In Sb Ru Ru
In Sb Ru Ru 0 1 o o o 0 2 o o + 0 3 o o o 1 2 o o + 1 3 o o o 2 3 + o o 