data_Fe2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   3.62
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RuRh
_chemical_formula_sum   'Fe2 Ru1 Rh1'
_cell_volume   49.33
_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  0.31  0.81  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.21  1.0
  Ru  Ru3  1  0.0  0.0  0.03  1.0
  Rh  Rh2  1  0.31  0.81  0.54  1.0

data_Fe2RuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   3.62
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RuRh
_chemical_formula_sum   'Fe2 Ru1 Rh1'
_cell_volume   49.33
_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  0.0  0.0  0.21  1.0
  Fe  Fe1  1  0.31  0.81  0.04  1.0
  Ru  Ru2  1  0.0  0.0  0.03  1.0
  Rh  Rh3  1  0.31  0.81  0.54  1.0

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