data_FePRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePRu2
_chemical_formula_sum   'Fe1 P1 Ru2'
_cell_volume   51.81
_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  0.08  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.45  0.45  0.39  1.0
  Ru  Ru3  1  0.45  0.45  0.77  1.0

data_FePRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FePRu2
_chemical_formula_sum   'Fe2 P2 Ru4'
_cell_volume   103.62
_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  0.08  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.45  0.0  0.39  1.0
  Ru  Ru3  2  0.45  0.0  0.77  1.0

Fe P Ru Ru
Fe P Ru Ru 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 3 o o - 1 3 o - - 1 3 - o - 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
Ru2FeP crystallizes in the monoclinic Cm space group. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to one Ru(2), four equivalent Ru(1), and four equivalent Fe(1) atoms. The Ru(1)-Ru(2) bond length is 2.32 Å. All Ru(1)-Ru(1) bond lengths are 2.90 Å. There are a spread of Ru(1)-Fe(1) bond distances ranging from 2.66-2.96 Å. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to one Ru(1), four equivalent Ru(2), and four equivalent P(1) atoms. All Ru(2)-Ru(2) bond lengths are 2.90 Å. There are a spread of Ru(2)-P(1) bond distances ranging from 2.33-2.67 Å. In the third Ru site, Ru(2) is bonded in a 9-coordinate geometry to one Ru(1), four equivalent Ru(2), and four equivalent P(1) atoms. The Ru(2)-Ru(1) bond length is 2.32 Å. There are a spread of Ru(2)-P(1) bond distances ranging from 2.33-2.67 Å. Fe(1) is bonded in a single-bond geometry to four equivalent Ru(1) and one P(1) atom. The Fe(1)-P(1) bond length is 0.50 Å. P(1) is bonded in a single-bond geometry to four Ru(2,2) and one Fe(1) atom.