data_CdIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2As
_chemical_formula_sum   'Cd1 In2 As1'
_cell_volume   100.08
_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  Cd1  1  0.69  0.69  0.69  1.0
  In  In2  1  0.84  0.84  0.84  1.0
  In  In3  1  0.53  0.53  0.53  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_CdIn2As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdIn2As
_chemical_formula_sum   'Cd3 In6 As3'
_cell_volume   300.25
_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
  In  In1  3  0.0  0.0  0.16  1.0
  In  In2  3  0.0  0.0  0.47  1.0
  As  As3  3  0.0  0.0  -0.0  1.0

Cd In In As
CdIn2As crystallizes in the trigonal R3m space group. Cd(1) is bonded to one In(1), one In(2), and three equivalent As(1) atoms to form CdIn2As3 trigonal bipyramids that share corners with six equivalent Cd(1)In2As3 trigonal bipyramids and  a cornercorner with one As(1)Cd3In trigonal pyramid. The Cd(1)-In(1) bond length is 2.01 Å. The Cd(1)-In(2) bond length is 2.01 Å. All Cd(1)-As(1) bond lengths are 3.02 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a linear geometry to one Cd(1) and one As(1) atom. The In(1)-As(1) bond length is 2.01 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Cd(1) atom. As(1) is bonded to three equivalent Cd(1) and one In(1) atom to form distorted AsCd3In trigonal pyramids that share  a cornercorner with one Cd(1)In2As3 trigonal bipyramid and corners with six equivalent As(1)Cd3In trigonal pyramids.