data_CdMoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoP
_chemical_formula_sum   'Cd1 Mo1 P1'
_cell_volume   65.29
_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
  Cd  Cd0  1  0.6  0.6  0.6  1.0
  Mo  Mo1  1  0.2  0.2  0.2  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_CdMoP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdMoP
_chemical_formula_sum   'Cd3 Mo3 P3'
_cell_volume   195.86
_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
  Cd  Cd0  3  0.0  0.0  0.4  1.0
  Mo  Mo1  3  0.0  0.0  0.8  1.0
  P  P2  3  0.0  0.0  0.0  1.0

Cd Mo P
MoCdP crystallizes in the trigonal R3m space group. Mo(1) is bonded to three equivalent Cd(1) and one P(1) atom to form distorted MoCd3P tetrahedra that share corners with three equivalent P(1)Cd3Mo tetrahedra, corners with six equivalent Mo(1)Cd3P tetrahedra, and edges with three equivalent P(1)Cd3Mo tetrahedra. All Mo(1)-Cd(1) bond lengths are 2.72 Å. The Mo(1)-P(1) bond length is 2.17 Å. Cd(1) is bonded in a distorted hexagonal planar geometry to three equivalent Mo(1) and three equivalent P(1) atoms. All Cd(1)-P(1) bond lengths are 2.72 Å. P(1) is bonded to one Mo(1) and three equivalent Cd(1) atoms to form distorted PCd3Mo tetrahedra that share corners with three equivalent Mo(1)Cd3P tetrahedra, corners with six equivalent P(1)Cd3Mo tetrahedra, and edges with three equivalent Mo(1)Cd3P tetrahedra.