data_CdGa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   9.03
_cell_angle_alpha   18.83
_cell_angle_beta   18.83
_cell_angle_gamma   18.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Fe
_chemical_formula_sum   'Cd1 Ga2 Fe1'
_cell_volume   67.09
_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  Cd0  1  0.0  0.0  0.3  1.0
  Ga  Ga2  1  0.0  0.0  0.63  1.0
  Ga  Ga3  1  0.0  0.0  0.98  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_CdGa2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   2.96
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGa2Fe
_chemical_formula_sum   'Cd2 Ga4 Fe2'
_cell_volume   134.19
_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
  Cd  Cd0  2  0.0  0.0  0.7  1.0
  Ga  Ga1  2  0.0  0.0  0.02  1.0
  Ga  Ga2  2  0.0  0.0  0.37  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

Cd Ga Ga Fe
Cd Ga Ga Fe 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o + 1 2 o o o 2 3 o o + 
FeCdGa2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a single-bond geometry to one Cd(1) and one Ga(2) atom. The Fe(1)-Cd(1) bond length is 2.75 Å. The Fe(1)-Ga(2) bond length is 0.19 Å. Cd(1) is bonded to one Fe(1), six equivalent Cd(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing CdCd6GaFe hexagonal bipyramids. All Cd(1)-Cd(1) bond lengths are 2.96 Å. The Cd(1)-Ga(1) bond length is 2.94 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to one Cd(1), one Ga(2), and six equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 3.15 Å. All Ga(1)-Ga(1) bond lengths are 2.96 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Fe(1) and one Ga(1) atom.