data_InAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.31
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAgRu2
_chemical_formula_sum   'In1 Ag1 Ru2'
_cell_volume   67.62
_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  0.64  0.15  0.14  1.0
  Ag  Ag0  1  0.94  0.0  0.62  1.0
  Ru  Ru2  1  0.38  0.0  0.11  1.0
  Ru  Ru3  1  0.37  0.15  0.26  1.0

data_InAgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.31
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAgRu2
_chemical_formula_sum   'In1 Ag1 Ru2'
_cell_volume   67.62
_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  0.64  0.15  0.14  1.0
  Ag  Ag1  1  0.94  0.0  0.62  1.0
  Ru  Ru2  1  0.37  0.15  0.26  1.0
  Ru  Ru3  1  0.38  0.0  0.11  1.0

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