data_CoP4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP4Ru
_chemical_formula_sum   'Co1 P4 Ru1'
_cell_volume   79.51
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.27  0.27  0.56  1.0
  P  P2  1  0.27  0.56  0.27  1.0
  P  P3  1  0.56  0.27  0.27  1.0
  P  P4  1  0.56  0.56  0.56  1.0
  Ru  Ru5  1  0.12  0.12  0.12  1.0

data_CoP4Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoP4Ru
_chemical_formula_sum   'Co3 P12 Ru3'
_cell_volume   238.52
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Co  Co0  3  0.0  0.0  0.0  1.0
  P  P1  9  0.1  0.19  0.64  1.0
  P  P2  3  0.0  0.0  0.44  1.0
  Ru  Ru3  3  0.0  0.0  0.88  1.0

Co P P P P Ru
Co P P P P Ru 0 5 o o o 0 4 o - - 0 4 - o - 0 4 - - o 1 3 o o o 1 2 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 - o o 3 4 o o o 3 4 o o - 3 4 o - o 4 5 o o + 4 5 o + o 4 5 + o o 
RuCoP4 crystallizes in the trigonal R3m space group. Ru(1) is bonded in a single-bond geometry to one Co(1) and three equivalent P(2) atoms. The Ru(1)-Co(1) bond length is 1.41 Å. All Ru(1)-P(2) bond lengths are 3.05 Å. Co(1) is bonded in a distorted single-bond geometry to one Ru(1), three equivalent P(1), and three equivalent P(2) atoms. All Co(1)-P(1) bond lengths are 2.02 Å. All Co(1)-P(2) bond lengths are 3.07 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Co(1), one P(2), and two equivalent P(1) atoms. The P(1)-P(2) bond length is 2.41 Å. Both P(1)-P(1) bond lengths are 1.39 Å. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Ru(1), three equivalent Co(1), and three equivalent P(1) atoms.