data_FeAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.73
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   97.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Ru
_chemical_formula_sum   'Fe1 Ag2 Ru1'
_cell_volume   62.62
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.05  0.37  0.77  1.0
  Ag  Ag1  1  0.94  0.37  0.22  1.0
  Ru  Ru3  1  1.0  0.0  0.5  1.0

data_FeAg2Ru
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.65
_cell_length_b   4.73
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   97.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   FeAg2Ru
_chemical_formula_sum   'Fe1 Ag2 Ru1'
_cell_volume   62.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.05  0.37  0.77  1.0
  Ru  Ru2  1  0.0  0.0  0.5  1.0

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