data_Al2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PRu
_chemical_formula_sum   'Al2 P1 Ru1'
_cell_volume   55.23
_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
  Al  Al0  1  0.6  0.6  0.07  1.0
  Al  Al1  1  0.6  0.6  0.33  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.7  1.0

data_Al2PRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2PRu
_chemical_formula_sum   'Al4 P2 Ru2'
_cell_volume   110.45
_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
  Al  Al0  2  0.1  0.5  0.07  1.0
  Al  Al1  2  0.1  0.5  0.33  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.7  1.0

Al Al P Ru
Al Al P Ru 0 1 o o o 0 2 + + o 2 3 o o - 
RuAl2P crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a 2-coordinate geometry to one Al(2) and one P(1) atom. The Ru(1)-Al(2) bond length is 2.70 Å. The Ru(1)-P(1) bond length is 1.63 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Al(2) and four equivalent P(1) atoms. The Al(1)-Al(2) bond length is 1.40 Å. There are a spread of Al(1)-P(1) bond distances ranging from 1.85-2.74 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Ru(1) and one Al(1) atom. P(1) is bonded in a 1-coordinate geometry to one Ru(1) and four equivalent Al(1) atoms.