data_LaY2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Nb
_chemical_formula_sum   'La1 Y2 Nb1'
_cell_volume   112.48
_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  La0  1  0.38  0.38  0.0  1.0
  Y  Y2  1  0.0  0.38  0.48  1.0
  Y  Y3  1  0.38  0.0  0.48  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0

data_LaY2Nb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY2Nb
_chemical_formula_sum   'La2 Y4 Nb2'
_cell_volume   224.96
_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  0.38  0.0  0.0  1.0
  Y  Y1  4  0.19  0.19  0.48  1.0
  Nb  Nb2  2  0.0  0.0  0.0  1.0

La Y Y Nb
La Y Y Nb 0 3 o o o 0 1 o o - 0 1 o o o 0 2 o o - 0 2 o o o 1 3 o o o 1 3 o o + 1 2 o o o 2 3 o o o 2 3 o o + 
LaY2Nb crystallizes in the monoclinic Cm space group. La(1) is bonded in a distorted single-bond geometry to eight equivalent Y(1) and one Nb(1) atom. There are a spread of La(1)-Y(1) bond distances ranging from 2.99-3.92 Å. The La(1)-Nb(1) bond length is 2.57 Å. Y(1) is bonded in a 12-coordinate geometry to four equivalent La(1), four equivalent Y(1), and four equivalent Nb(1) atoms. There are a spread of Y(1)-Y(1) bond distances ranging from 2.57-4.17 Å. There are a spread of Y(1)-Nb(1) bond distances ranging from 2.99-3.92 Å. Nb(1) is bonded in a 1-coordinate geometry to one La(1) and eight equivalent Y(1) atoms.