data_LaYGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYGa2
_chemical_formula_sum   'La1 Y1 Ga2'
_cell_volume   98.96
_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  0.51  0.51  0.51  1.0
  Y  Y3  1  0.67  0.67  0.67  1.0
  Ga  Ga0  1  0.84  0.84  0.84  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_LaYGa2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYGa2
_chemical_formula_sum   'La3 Y3 Ga6'
_cell_volume   296.87
_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  0.49  1.0
  Y  Y1  3  0.0  0.0  0.33  1.0
  Ga  Ga2  3  0.0  0.0  0.16  1.0
  Ga  Ga3  3  0.0  0.0  1.0  1.0

La Y Ga Ga
LaYGa2 crystallizes in the trigonal R3m space group. La(1) is bonded to one Y(1), three equivalent Ga(1), and three equivalent Ga(2) atoms to form distorted LaYGa6 trigonal pyramids that share corners with three equivalent Y(1)LaGa4 trigonal bipyramids, corners with four equivalent Ga(1)La3YGa trigonal bipyramids, edges with three equivalent Ga(2)La3Y3Ga trigonal pyramids, edges with six equivalent La(1)YGa6 trigonal pyramids, and faces with three equivalent Y(1)LaGa4 trigonal bipyramids. The La(1)-Y(1) bond length is 2.09 Å. All La(1)-Ga(1) bond lengths are 3.00 Å. All La(1)-Ga(2) bond lengths are 3.72 Å. Y(1) is bonded to one La(1), one Ga(1), and three equivalent Ga(2) atoms to form distorted YLaGa4 trigonal bipyramids that share corners with six equivalent Y(1)LaGa4 trigonal bipyramids, corners with three equivalent La(1)YGa6 trigonal pyramids, corners with four equivalent Ga(2)La3Y3Ga trigonal pyramids, edges with three equivalent Ga(1)La3YGa trigonal bipyramids, and faces with three equivalent La(1)YGa6 trigonal pyramids. The Y(1)-Ga(1) bond length is 2.09 Å. All Y(1)-Ga(2) bond lengths are 3.00 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to three equivalent La(1), one Y(1), and one Ga(2) atom to form distorted GaLa3YGa trigonal bipyramids that share corners with six equivalent Ga(1)La3YGa trigonal bipyramids, corners with three equivalent Ga(2)La3Y3Ga trigonal pyramids, corners with four equivalent La(1)YGa6 trigonal pyramids, edges with three equivalent Y(1)LaGa4 trigonal bipyramids, and faces with three equivalent Ga(2)La3Y3Ga trigonal pyramids. The Ga(1)-Ga(2) bond length is 2.09 Å. In the second Ga site, Ga(2) is bonded to three equivalent La(1), three equivalent Y(1), and one Ga(1) atom to form distorted GaLa3Y3Ga trigonal pyramids that share corners with three equivalent Ga(1)La3YGa trigonal bipyramids, corners with four equivalent Y(1)LaGa4 trigonal bipyramids, edges with three equivalent La(1)YGa6 trigonal pyramids, edges with six equivalent Ga(2)La3Y3Ga trigonal pyramids, and faces with three equivalent Ga(1)La3YGa trigonal bipyramids.