data_FeBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.09
_cell_angle_alpha   115.66
_cell_angle_beta   115.66
_cell_angle_gamma   33.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBRu2
_chemical_formula_sum   'Fe1 B1 Ru2'
_cell_volume   44.24
_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  0.6  0.0  0.08  1.0
  B  B0  1  0.55  0.0  0.74  1.0
  Ru  Ru2  1  0.0  0.0  0.03  1.0
  Ru  Ru3  1  0.61  0.0  0.62  1.0

data_FeBRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.09
_cell_length_c   4.71
_cell_angle_alpha   115.66
_cell_angle_beta   106.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBRu2
_chemical_formula_sum   'Fe1 B1 Ru2'
_cell_volume   44.24
_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  0.08  0.6  1.0
  B  B1  1  0.0  0.74  0.55  1.0
  Ru  Ru2  1  0.0  0.03  0.0  1.0
  Ru  Ru3  1  0.0  0.62  0.61  1.0

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