data_FeP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Ru
_chemical_formula_sum   'Fe1 P2 Ru1'
_cell_volume   50.19
_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  0.25  1.0
  P  P1  1  0.56  0.56  0.88  1.0
  P  P2  1  0.0  0.0  0.4  1.0
  Ru  Ru3  1  0.56  0.56  0.31  1.0

data_FeP2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeP2Ru
_chemical_formula_sum   'Fe2 P4 Ru2'
_cell_volume   100.38
_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  0.25  1.0
  P  P1  2  0.0  0.0  0.4  1.0
  P  P2  2  0.06  0.5  0.88  1.0
  Ru  Ru3  2  0.06  0.5  0.31  1.0

Fe P P Ru
RuFeP2 crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent P(1), and four equivalent P(2) atoms. There are a spread of Ru(1)-Fe(1) bond distances ranging from 1.95-2.51 Å. There is one shorter (2.16 Å) and one longer (2.97 Å) Ru(1)-P(1) bond length. There are a spread of Ru(1)-P(2) bond distances ranging from 1.99-2.53 Å. Fe(1) is bonded in a single-bond geometry to four equivalent Ru(1), one P(2), and four equivalent P(1) atoms. The Fe(1)-P(2) bond length is 0.76 Å. There are a spread of Fe(1)-P(1) bond distances ranging from 2.69-3.12 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Ru(1) and four equivalent Fe(1) atoms. In the second P site, P(2) is bonded in a single-bond geometry to four equivalent Ru(1) and one Fe(1) atom.