data_Sc2ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnGa
_chemical_formula_sum   'Sc2 Zn1 Ga1'
_cell_volume   74.56
_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
  Sc  Sc1  1  0.66  0.3  0.65  1.0
  Sc  Sc2  1  0.66  0.7  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.32  0.0  0.0  1.0

data_Sc2ZnGa
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2ZnGa
_chemical_formula_sum   'Sc2 Zn1 Ga1'
_cell_volume   74.58
_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
  Sc  Sc0  2  0.65  0.3  0.66  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.32  1.0

Sc Sc Zn Ga
Sc2ZnGa crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Zn(1), and two equivalent Ga(1) atoms. The Sc(1)-Sc(1) bond length is 1.93 Å. There is one shorter (2.44 Å) and one longer (3.03 Å) Sc(1)-Zn(1) bond length. There is one shorter (2.44 Å) and one longer (3.03 Å) Sc(1)-Ga(1) bond length. Zn(1) is bonded in a 5-coordinate geometry to four equivalent Sc(1) and one Ga(1) atom. The Zn(1)-Ga(1) bond length is 1.53 Å. Ga(1) is bonded in a 5-coordinate geometry to four equivalent Sc(1) and one Zn(1) atom.