data_LaYAlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYAlGa
_chemical_formula_sum   'La1 Y1 Al1 Ga1'
_cell_volume   98.11
_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  0.49  0.49  0.49  1.0
  Y  Y3  1  0.66  0.66  0.66  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.83  0.83  0.83  1.0

data_LaYAlGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYAlGa
_chemical_formula_sum   'La3 Y3 Al3 Ga3'
_cell_volume   294.34
_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
  La  La0  3  0.0  0.0  0.51  1.0
  Y  Y1  3  0.0  0.0  0.34  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.17  1.0

La Y Al Ga
La Y Al Ga 0 1 o o o 1 3 o o o 2 3 - - - 
LaYGaAl crystallizes in the trigonal R3m space group. La(1) is bonded to one Y(1), three equivalent Ga(1), and three equivalent Al(1) atoms to form distorted LaYAl3Ga3 trigonal pyramids that share corners with four equivalent Ga(1)La3YAl trigonal bipyramids and edges with six equivalent La(1)YAl3Ga3 trigonal pyramids. The La(1)-Y(1) bond length is 2.15 Å. All La(1)-Ga(1) bond lengths are 2.99 Å. All La(1)-Al(1) bond lengths are 3.60 Å. Y(1) is bonded in a 5-coordinate geometry to one La(1), one Ga(1), and three equivalent Al(1) atoms. The Y(1)-Ga(1) bond length is 2.15 Å. All Y(1)-Al(1) bond lengths are 2.99 Å. Ga(1) is bonded to three equivalent La(1), one Y(1), and one Al(1) atom to form distorted GaLa3YAl trigonal bipyramids that share corners with six equivalent Ga(1)La3YAl trigonal bipyramids and corners with four equivalent La(1)YAl3Ga3 trigonal pyramids. The Ga(1)-Al(1) bond length is 2.15 Å. Al(1) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent Y(1), and one Ga(1) atom.