data_La2YTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YTa
_chemical_formula_sum   'La2 Y1 Ta1'
_cell_volume   119.16
_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  0.95  0.0  0.28  1.0
  La  La1  1  0.95  0.0  0.01  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.65  1.0

data_La2YTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YTa
_chemical_formula_sum   'La2 Y1 Ta1'
_cell_volume   119.16
_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  0.95  0.0  0.01  1.0
  La  La1  1  0.95  0.0  0.28  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.65  1.0

La La Y Ta
La La Y Ta 0 0 o + o 0 0 + o o 0 2 + o o 0 1 o o o 1 2 + o o 2 3 o o - 3 3 + + o 3 3 o + o 3 3 + o o 
La2YTa crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one La(2), four equivalent La(1), and one Ta(1) atom. The La(1)-La(2) bond length is 3.06 Å. All La(1)-La(1) bond lengths are 3.34 Å. The La(1)-Ta(1) bond length is 4.12 Å. In the second La site, La(2) is bonded in a single-bond geometry to one La(1) and one Y(1) atom. The La(2)-Y(1) bond length is 0.21 Å. Y(1) is bonded in a single-bond geometry to one La(2) and one Ta(1) atom. The Y(1)-Ta(1) bond length is 3.99 Å. Ta(1) is bonded in a 6-coordinate geometry to one La(1), one Y(1), and four equivalent Ta(1) atoms. All Ta(1)-Ta(1) bond lengths are 3.34 Å.