data_FeAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08
_cell_length_b   9.08
_cell_length_c   9.08
_cell_angle_alpha   17.07
_cell_angle_beta   17.07
_cell_angle_gamma   17.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgRu2
_chemical_formula_sum   'Fe1 Ag1 Ru2'
_cell_volume   56.35
_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  0.0  0.0  0.97  1.0
  Ag  Ag0  1  0.0  0.0  0.34  1.0
  Ru  Ru2  1  0.0  0.0  0.09  1.0
  Ru  Ru3  1  0.0  0.0  0.87  1.0

data_FeAgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   2.7
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeAgRu2
_chemical_formula_sum   'Fe2 Ag2 Ru4'
_cell_volume   112.7
_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
  Fe  Fe0  2  -0.0  0.0  0.03  1.0
  Ag  Ag1  2  -0.0  0.0  0.66  1.0
  Ru  Ru2  2  -0.0  0.0  0.13  1.0
  Ru  Ru3  2  -0.0  0.0  0.91  1.0

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