data_Cd2CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoAs
_chemical_formula_sum   'Cd2 Co1 As1'
_cell_volume   73.71
_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  0.04  0.0  0.77  1.0
  Cd  Cd2  1  0.04  0.0  0.82  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.29  1.0

data_Cd2CoAs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2CoAs
_chemical_formula_sum   'Cd2 Co1 As1'
_cell_volume   73.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.04  0.0  0.77  1.0
  Cd  Cd1  1  0.04  0.0  0.82  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.29  1.0

Cd Cd Co As
Cd Cd Co As 0 1 o o o 1 2 o o + 2 3 o o o 3 3 o + o 3 3 + o o 
CoCd2As crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one CoCd2As cluster. Co(1) is bonded in a 2-coordinate geometry to one Cd(2) and one As(1) atom. The Co(1)-Cd(2) bond length is 1.54 Å. The Co(1)-As(1) bond length is 2.52 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.48 Å. In the second Cd site, Cd(2) is bonded in a linear geometry to one Co(1) and one Cd(1) atom. As(1) is bonded in a distorted single-bond geometry to one Co(1) atom.