data_CdIn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2P
_chemical_formula_sum   'Cd1 In2 P1'
_cell_volume   95.86
_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  0.82  0.82  0.82  1.0
  In  In1  1  0.45  0.45  0.45  1.0
  In  In2  1  0.63  0.63  0.63  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CdIn2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdIn2P
_chemical_formula_sum   'Cd3 In6 P3'
_cell_volume   287.57
_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  0.18  1.0
  In  In1  3  0.0  0.0  0.37  1.0
  In  In2  3  0.0  0.0  0.55  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Cd In In P
CdIn2P crystallizes in the trigonal R3m space group. Cd(1) is bonded in a distorted linear geometry to one In(2), three equivalent In(1), and one P(1) atom. The Cd(1)-In(2) bond length is 2.31 Å. All Cd(1)-In(1) bond lengths are 3.00 Å. The Cd(1)-P(1) bond length is 2.31 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent Cd(1) and one In(2) atom to form distorted InCd3In trigonal pyramids that share corners with three equivalent In(2)CdInP3 trigonal bipyramids and corners with six equivalent In(1)Cd3In trigonal pyramids. The In(1)-In(2) bond length is 2.31 Å. In the second In site, In(2) is bonded to one Cd(1), one In(1), and three equivalent P(1) atoms to form distorted InCdInP3 trigonal bipyramids that share corners with six equivalent In(2)CdInP3 trigonal bipyramids and corners with three equivalent In(1)Cd3In trigonal pyramids. All In(2)-P(1) bond lengths are 3.00 Å. P(1) is bonded in a 4-coordinate geometry to one Cd(1) and three equivalent In(2) atoms.