data_InFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.04
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeRu2
_chemical_formula_sum   'In1 Fe1 Ru2'
_cell_volume   59.74
_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  In1  1  0.45  0.0  0.62  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.89  0.02  0.08  1.0
  Ru  Ru3  1  0.83  0.02  0.15  1.0

data_InFeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.04
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeRu2
_chemical_formula_sum   'In1 Fe1 Ru2'
_cell_volume   59.74
_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  0.62  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.83  0.02  0.15  1.0
  Ru  Ru3  1  0.89  0.02  0.08  1.0

In Fe Ru Ru
In Fe Ru Ru 0 3 - o o 0 3 o o o 0 3 o o + 0 2 - o o 0 2 o o + 0 1 o o + 0 1 + o + 0 0 + o o 1 2 - o o 2 3 o o o 