data_Cd2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AgAs
_chemical_formula_sum   'Cd2 Ag1 As1'
_cell_volume   82.23
_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  Cd2  1  0.12  0.0  0.29  1.0
  Cd  Cd3  1  0.12  0.0  0.5  1.0
  Ag  Ag0  1  0.0  0.0  0.39  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_Cd2AgAs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2AgAs
_chemical_formula_sum   'Cd2 Ag1 As1'
_cell_volume   82.31
_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  0.12  0.0  0.29  1.0
  Cd  Cd1  1  0.12  0.0  0.5  1.0
  Ag  Ag2  1  0.0  0.0  0.39  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Cd Cd Ag As
AgCd2As crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one AgCd2As cluster. Ag(1) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. The Ag(1)-Cd(1) bond length is 0.98 Å. The Ag(1)-Cd(2) bond length is 0.98 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to one Ag(1) and one As(1) atom. The Cd(1)-As(1) bond length is 2.58 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Ag(1) atom. As(1) is bonded in a single-bond geometry to one Cd(1) atom.