data_Zr2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   5.04
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdGa
_chemical_formula_sum   'Zr2 Cd1 Ga1'
_cell_volume   81.96
_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
  Zr  Zr2  1  0.71  0.52  0.8  1.0
  Zr  Zr3  1  0.56  0.0  0.64  1.0
  Cd  Cd0  1  0.11  0.52  0.25  1.0
  Ga  Ga1  1  0.06  0.0  0.27  1.0

data_Zr2CdGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.04
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdGa
_chemical_formula_sum   'Zr2 Cd1 Ga1'
_cell_volume   81.96
_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
  Zr  Zr0  1  0.56  0.0  0.64  1.0
  Zr  Zr1  1  0.71  0.52  0.8  1.0
  Cd  Cd2  1  0.11  0.52  0.25  1.0
  Ga  Ga3  1  0.06  0.0  0.27  1.0

Zr Zr Cd Ga
Zr2CdGa crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to three equivalent Cd(1) atoms. There are a spread of Zr(1)-Cd(1) bond distances ranging from 2.65-3.12 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Ga(1) atoms. There is one shorter (2.48 Å) and one longer (2.54 Å) Zr(2)-Ga(1) bond length. Cd(1) is bonded in a 5-coordinate geometry to three equivalent Zr(1) and two equivalent Ga(1) atoms. There is one shorter (2.42 Å) and one longer (2.64 Å) Cd(1)-Ga(1) bond length. Ga(1) is bonded in a 4-coordinate geometry to two equivalent Zr(2) and two equivalent Cd(1) atoms.