data_LaAl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   133.73
_cell_angle_beta   133.73
_cell_angle_gamma   67.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Ga
_chemical_formula_sum   'La1 Al2 Ga1'
_cell_volume   90.78
_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  La3  1  0.0  0.0  0.67  1.0
  Al  Al0  1  0.0  0.21  0.33  1.0
  Al  Al1  1  0.21  0.0  0.33  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_LaAl2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   123.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAl2Ga
_chemical_formula_sum   'La2 Al4 Ga2'
_cell_volume   181.55
_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
  La  La0  2  0.0  0.0  0.67  1.0
  Al  Al1  4  0.4  0.4  0.13  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

La Al Al Ga
La Al Al Ga 0 3 o o + 1 3 o o o 1 2 o o o 2 3 o o o 
LaGaAl2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a distorted single-bond geometry to one Ga(1) and four equivalent Al(1) atoms. The La(1)-Ga(1) bond length is 1.87 Å. There are two shorter (2.79 Å) and two longer (3.44 Å) La(1)-Al(1) bond lengths. Ga(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Al(1) atoms. Both Ga(1)-Al(1) bond lengths are 1.36 Å. Al(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Ga(1), and one Al(1) atom. The Al(1)-Al(1) bond length is 1.28 Å.