data_NaScInGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScInGa
_chemical_formula_sum   'Na1 Sc1 In1 Ga1'
_cell_volume   87.87
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.29  0.29  0.29  1.0
  In  In1  1  0.76  0.76  0.76  1.0
  Ga  Ga0  1  0.53  0.53  0.53  1.0

data_NaScInGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaScInGa
_chemical_formula_sum   'Na3 Sc3 In3 Ga3'
_cell_volume   263.62
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.71  1.0
  In  In2  3  0.0  0.0  0.24  1.0
  Ga  Ga3  3  0.0  0.0  0.47  1.0

Na Sc In Ga
NaScInGa crystallizes in the trigonal R3m space group. Na(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), four equivalent In(1), and three equivalent Ga(1) atoms. There are three shorter (2.92 Å) and one longer (3.58 Å) Na(1)-Sc(1) bond length. There is one shorter (2.88 Å) and three longer (3.12 Å) Na(1)-In(1) bond lengths. All Na(1)-Ga(1) bond lengths are 3.34 Å. Sc(1) is bonded in a 7-coordinate geometry to four equivalent Na(1), three equivalent In(1), and four equivalent Ga(1) atoms. All Sc(1)-In(1) bond lengths are 3.34 Å. There is one shorter (2.88 Å) and three longer (3.12 Å) Sc(1)-Ga(1) bond lengths. In(1) is bonded in a 11-coordinate geometry to four equivalent Na(1), three equivalent Sc(1), and four equivalent Ga(1) atoms. There is one shorter (2.88 Å) and three longer (3.12 Å) In(1)-Ga(1) bond lengths. Ga(1) is bonded in a 11-coordinate geometry to three equivalent Na(1), four equivalent Sc(1), and four equivalent In(1) atoms.