data_LaScGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.98
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScGa2
_chemical_formula_sum   'La1 Sc1 Ga2'
_cell_volume   89.99
_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
  La  La2  1  0.0  0.0  0.45  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.64  0.99  0.4  1.0
  Ga  Ga1  1  0.64  0.99  0.5  1.0

data_LaScGa2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.28
_cell_length_b   3.98
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaScGa2
_chemical_formula_sum   'La1 Sc1 Ga2'
_cell_volume   89.99
_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
  La  La0  1  0.0  0.0  0.45  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.64  0.0  0.4  1.0
  Ga  Ga3  1  0.64  0.0  0.5  1.0

La Sc Ga Ga
La Sc Ga Ga 0 2 - - o 0 3 - - o 0 1 o o + 0 1 o o o 1 3 - - - 1 3 - - o 1 2 - - o 1 2 o - o 1 1 + o o 2 3 o o o 
LaScGa2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (3.08 Å) and one longer (3.82 Å) La(1)-Sc(1) bond length. There is one shorter (1.23 Å) and one longer (2.13 Å) La(1)-Ga(1) bond length. There is one shorter (1.23 Å) and one longer (2.13 Å) La(1)-Ga(2) bond length. Sc(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent Sc(1), one Ga(2), and two equivalent Ga(1) atoms. There are two shorter (3.28 Å) and two longer (3.98 Å) Sc(1)-Sc(1) bond lengths. The Sc(1)-Ga(2) bond length is 3.66 Å. There is one shorter (2.97 Å) and one longer (3.44 Å) Sc(1)-Ga(1) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent Sc(1), and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 0.70 Å. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to two equivalent La(1), one Sc(1), and one Ga(1) atom.