data_In2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeRu
_chemical_formula_sum   'In2 Fe1 Ru1'
_cell_volume   70.1
_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  0.46  0.46  0.75  1.0
  In  In2  1  0.0  0.0  0.44  1.0
  Fe  Fe0  1  0.0  0.0  0.88  1.0
  Ru  Ru3  1  0.46  0.46  0.47  1.0

data_In2FeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2FeRu
_chemical_formula_sum   'In4 Fe2 Ru2'
_cell_volume   140.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.44  1.0
  In  In1  2  0.46  0.0  0.75  1.0
  Fe  Fe2  2  0.0  0.0  0.88  1.0
  Ru  Ru3  2  0.46  0.0  0.47  1.0

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