data_MoP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2Pd
_chemical_formula_sum   'Mo1 P2 Pd1'
_cell_volume   58.09
_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
  Mo  Mo0  1  0.0  0.0  0.09  1.0
  P  P1  1  0.69  0.69  0.9  1.0
  P  P2  1  0.0  0.0  0.57  1.0
  Pd  Pd3  1  0.69  0.69  0.23  1.0

data_MoP2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoP2Pd
_chemical_formula_sum   'Mo2 P4 Pd2'
_cell_volume   116.19
_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
  Mo  Mo0  2  0.0  0.0  0.09  1.0
  P  P1  2  0.0  0.0  0.57  1.0
  P  P2  2  0.19  0.5  0.9  1.0
  Pd  Pd3  2  0.19  0.5  0.23  1.0

Mo P P Pd
MoPdP2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 2-coordinate geometry to one Pd(1), two equivalent P(2), and three equivalent P(1) atoms. The Mo(1)-Pd(1) bond length is 1.67 Å. There is one shorter (2.47 Å) and one longer (2.65 Å) Mo(1)-P(2) bond length. There is one shorter (1.79 Å) and two longer (2.72 Å) Mo(1)-P(1) bond lengths. Pd(1) is bonded in a 2-coordinate geometry to one Mo(1), one P(1), and three equivalent P(2) atoms. The Pd(1)-P(1) bond length is 1.70 Å. There is one shorter (2.30 Å) and two longer (3.08 Å) Pd(1)-P(2) bond lengths. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to three equivalent Mo(1), one Pd(1), and one P(2) atom. The P(1)-P(2) bond length is 2.25 Å. In the second P site, P(2) is bonded in a 6-coordinate geometry to two equivalent Mo(1), three equivalent Pd(1), and one P(1) atom.