data_MnCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   128.86
_cell_angle_beta   128.86
_cell_angle_gamma   75.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdAs2
_chemical_formula_sum   'Mn1 Cd1 As2'
_cell_volume   75.2
_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
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.99  1.0
  As  As0  1  0.17  0.0  0.99  1.0
  As  As1  1  0.0  0.17  0.99  1.0

data_MnCdAs2
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   MnCdAs2
_chemical_formula_sum   'Mn4 Cd4 As8'
_cell_volume   300.81
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y, z+1/2'
  6  '-x+1/2, -y, z+1/2'
  7  '-x+1/2, y, z+1/2'
  8  'x+1/2, -y, z+1/2'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, z'
  11  '-x+1/2, y+1/2, z'
  12  'x+1/2, -y+1/2, z'
  13  'x, y+1/2, z+1/2'
  14  '-x, -y+1/2, z+1/2'
  15  '-x, y+1/2, z+1/2'
  16  'x, -y+1/2, z+1/2'
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
  Mn  Mn0  4  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.0  0.0  0.99  1.0
  As  As2  8  0.09  0.0  0.91  1.0

Mn Cd As As
Mn Cd As As 0 1 o o - 0 2 o o - 0 3 o o - 1 2 o o o 1 3 o o o 
MnCdAs2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnCdAs2 clusters. Mn(1) is bonded in a single-bond geometry to one Cd(1) atom. The Mn(1)-Cd(1) bond length is 0.07 Å. Cd(1) is bonded in a distorted single-bond geometry to one Mn(1) and two equivalent As(1) atoms. Both Cd(1)-As(1) bond lengths are 0.84 Å. As(1) is bonded in a single-bond geometry to one Cd(1) atom.