data_ZnCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrGa2
_chemical_formula_sum   'Zn1 Cr1 Ga2'
_cell_volume   58.83
_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
  Zn  Zn3  1  0.0  0.0  0.7  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.65  0.65  0.3  1.0
  Ga  Ga2  1  0.65  0.65  0.1  1.0

data_ZnCrGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCrGa2
_chemical_formula_sum   'Zn2 Cr2 Ga4'
_cell_volume   117.65
_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
  Zn  Zn0  2  0.0  0.0  0.7  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.15  0.5  0.1  1.0
  Ga  Ga3  2  0.15  0.5  0.3  1.0

Zn Cr Ga Ga
Zn Cr Ga Ga 0 1 o o + 1 3 - - o 2 3 o o o 
CrZnGa2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 4-coordinate geometry to one Zn(1) and three equivalent Ga(2) atoms. The Cr(1)-Zn(1) bond length is 1.63 Å. There is one shorter (1.71 Å) and two longer (2.49 Å) Cr(1)-Ga(2) bond lengths. Zn(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Ga(1) atom. The Zn(1)-Ga(1) bond length is 2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Zn(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.10 Å. In the second Ga site, Ga(2) is bonded in a distorted water-like geometry to three equivalent Cr(1) and one Ga(1) atom.