data_InCoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.69
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoRu2
_chemical_formula_sum   'In1 Co1 Ru2'
_cell_volume   59.36
_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  0.41  0.85  0.22  1.0
  Co  Co0  1  0.0  0.0  0.73  1.0
  Ru  Ru2  1  0.0  0.0  0.19  1.0
  Ru  Ru3  1  0.41  0.85  0.43  1.0

data_InCoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.69
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoRu2
_chemical_formula_sum   'In1 Co1 Ru2'
_cell_volume   59.36
_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  0.41  0.85  0.22  1.0
  Co  Co1  1  0.0  0.0  0.73  1.0
  Ru  Ru2  1  0.0  0.0  0.19  1.0
  Ru  Ru3  1  0.41  0.85  0.43  1.0

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