data_CdNi4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi4P
_chemical_formula_sum   'Cd1 Ni4 P1'
_cell_volume   77.81
_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  0.69  0.69  0.69  1.0
  Ni  Ni1  1  0.54  0.54  0.24  1.0
  Ni  Ni2  1  0.54  0.24  0.54  1.0
  Ni  Ni3  1  0.24  0.54  0.54  1.0
  Ni  Ni4  1  0.24  0.24  0.24  1.0
  P  P5  1  0.0  0.0  0.0  1.0

data_CdNi4P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdNi4P
_chemical_formula_sum   'Cd3 Ni12 P3'
_cell_volume   233.44
_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  0.31  1.0
  Ni  Ni1  9  0.2  0.1  0.56  1.0
  Ni  Ni2  3  0.0  0.0  0.76  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Cd Ni Ni Ni Ni P
Cd Ni Ni Ni Ni P 0 1 o o + 0 3 + o o 0 2 o + o 0 4 + o o 0 4 o + o 0 4 o o + 0 5 + + o 0 5 + o + 0 5 o + + 1 2 o o o 1 3 o o o 1 4 + o o 1 4 o + o 1 4 o o o 1 5 + + o 1 5 + o o 1 5 o + o 2 3 o o o 2 4 + o o 2 4 o o + 2 4 o o o 2 5 + o + 2 5 + o o 2 5 o o + 3 4 o + o 3 4 o o + 3 4 o o o 3 5 o + + 3 5 o + o 3 5 o o + 4 5 o o o 4 5 o o + 4 5 + o o 4 5 o + o 
Ni4CdP crystallizes in the trigonal R3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), one Cd(1), and two equivalent P(1) atoms. Both Ni(1)-Ni(1) bond lengths are 1.44 Å. There is one shorter (2.50 Å) and two longer (2.91 Å) Ni(1)-Ni(2) bond lengths. The Ni(1)-Cd(1) bond length is 2.14 Å. Both Ni(1)-P(1) bond lengths are 2.75 Å. In the second Ni site, Ni(2) is bonded in a 16-coordinate geometry to nine equivalent Ni(1), three equivalent Cd(1), and four equivalent P(1) atoms. All Ni(2)-Cd(1) bond lengths are 3.12 Å. There is one shorter (2.80 Å) and three longer (2.98 Å) Ni(2)-P(1) bond lengths. Cd(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and three equivalent P(1) atoms. All Cd(1)-P(1) bond lengths are 2.79 Å. P(1) is bonded in a 13-coordinate geometry to four equivalent Ni(2), six equivalent Ni(1), and three equivalent Cd(1) atoms.