data_FeAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.79
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgRu2
_chemical_formula_sum   'Fe1 Ag1 Ru2'
_cell_volume   58.41
_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
  Fe  Fe1  1  0.36  0.0  0.28  1.0
  Ag  Ag0  1  0.99  0.9  0.85  1.0
  Ru  Ru2  1  0.72  0.9  0.06  1.0
  Ru  Ru3  1  0.36  0.0  0.2  1.0

data_FeAgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.79
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgRu2
_chemical_formula_sum   'Fe1 Ag1 Ru2'
_cell_volume   58.41
_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
  Fe  Fe0  1  0.36  0.0  0.28  1.0
  Ag  Ag1  1  0.99  0.9  0.85  1.0
  Ru  Ru2  1  0.36  0.0  0.2  1.0
  Ru  Ru3  1  0.72  0.9  0.06  1.0

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