data_Zn2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CdAs
_chemical_formula_sum   'Zn2 Cd1 As1'
_cell_volume   79.75
_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
  Zn  Zn2  1  0.56  0.0  0.52  1.0
  Zn  Zn3  1  0.0  0.56  0.52  1.0
  Cd  Cd1  1  0.56  0.56  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Zn2CdAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CdAs
_chemical_formula_sum   'Zn4 Cd2 As2'
_cell_volume   159.49
_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
  Zn  Zn0  4  0.28  0.28  0.52  1.0
  Cd  Cd1  2  0.06  0.5  0.0  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Zn Zn Cd As
Zn Zn Cd As 0 3 o o o 0 3 o o + 0 3 + o o 0 3 + o + 0 2 o - o 0 2 o - + 0 2 o o o 0 2 o o + 0 1 + - o 0 0 o o + 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 3 o o o 1 3 o o + 1 3 o + o 1 3 o + + 1 1 o o + 2 2 o o + 2 3 + + o 3 3 o o + 
CdZn2As crystallizes in the monoclinic Cm space group. Cd(1) is bonded in a 11-coordinate geometry to two equivalent Cd(1), eight equivalent Zn(1), and one As(1) atom. Both Cd(1)-Cd(1) bond lengths are 3.03 Å. There are a spread of Cd(1)-Zn(1) bond distances ranging from 2.68-3.29 Å. The Cd(1)-As(1) bond length is 3.17 Å. Zn(1) is bonded in a 4-coordinate geometry to four equivalent Cd(1) and two equivalent As(1) atoms. There is one shorter (2.68 Å) and one longer (2.73 Å) Zn(1)-As(1) bond length. As(1) is bonded in a 4-coordinate geometry to one Cd(1) and four equivalent Zn(1) atoms.