data_La2Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Y
_chemical_formula_sum   'La8 Y4'
_cell_volume   461.68
_cell_formula_units_Z   4
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  La0  1  0.61  0.61  0.61  1.0
  La  La1  1  0.12  0.12  0.12  1.0
  La  La2  1  0.48  0.25  0.12  1.0
  La  La3  1  0.25  0.48  0.61  1.0
  La  La4  1  0.12  0.48  0.25  1.0
  La  La5  1  0.61  0.25  0.48  1.0
  La  La6  1  0.25  0.12  0.48  1.0
  La  La7  1  0.48  0.61  0.25  1.0
  Y  Y8  1  0.0  0.0  0.0  1.0
  Y  Y9  1  0.86  0.86  0.0  1.0
  Y  Y10  1  0.86  0.0  0.86  1.0
  Y  Y11  1  0.0  0.86  0.86  1.0

data_La2Y
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.93
_cell_length_b   10.93
_cell_length_c   13.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La2Y
_chemical_formula_sum   'La24 Y12'
_cell_volume   1385.04
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.03  0.19  0.45  1.0
  La  La1  9  0.17  0.7  0.95  1.0
  La  La2  3  0.0  0.0  0.12  1.0
  La  La3  3  0.0  0.0  0.61  1.0
  Y  Y4  9  0.09  0.05  0.91  1.0
  Y  Y5  3  0.0  0.0  0.0  1.0

La La La La La La La La Y Y Y Y
La2Y crystallizes in the trigonal R3 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent La(4) and three equivalent Y(2) atoms. All La(1)-La(4) bond lengths are 2.96 Å. All La(1)-Y(2) bond lengths are 4.09 Å. In the second La site, La(2) is bonded in a single-bond geometry to three equivalent La(3) and one Y(1) atom. All La(2)-La(3) bond lengths are 2.96 Å. The La(2)-Y(1) bond length is 1.57 Å. In the third La site, La(3) is bonded in a 8-coordinate geometry to one La(2), two equivalent La(3), three equivalent La(4), and two equivalent Y(2) atoms. Both La(3)-La(3) bond lengths are 3.42 Å. There are two shorter (2.96 Å) and one longer (4.61 Å) La(3)-La(4) bond length. There is one shorter (4.09 Å) and one longer (4.35 Å) La(3)-Y(2) bond length. In the fourth La site, La(4) is bonded in a 4-coordinate geometry to one La(1), three equivalent La(3), and one Y(2) atom. The La(4)-Y(2) bond length is 4.09 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to one La(2) and three equivalent Y(2) atoms. All Y(1)-Y(2) bond lengths are 1.48 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one La(1), one La(4), two equivalent La(3), one Y(1), and two equivalent Y(2) atoms. Both Y(2)-Y(2) bond lengths are 1.48 Å.