data_LaTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   6.32
_cell_angle_alpha   118.16
_cell_angle_beta   118.16
_cell_angle_gamma   57.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa
_chemical_formula_sum   'La3 Ta3'
_cell_volume   153.9
_cell_formula_units_Z   3
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  0.35  0.16  0.81  1.0
  La  La1  1  0.47  0.16  0.52  1.0
  La  La2  1  0.11  0.17  0.0  1.0
  Ta  Ta3  1  0.41  0.85  0.66  1.0
  Ta  Ta4  1  0.88  0.42  0.89  1.0
  Ta  Ta5  1  0.94  0.42  0.44  1.0

data_LaTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   5.84
_cell_length_c   6.26
_cell_angle_alpha   62.84
_cell_angle_beta   63.19
_cell_angle_gamma   61.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa
_chemical_formula_sum   'La3 Ta3'
_cell_volume   153.9
_cell_formula_units_Z   3
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  0.83  0.29  0.0  1.0
  La  La1  1  0.84  0.12  0.52  1.0
  La  La2  1  0.84  0.7  0.81  1.0
  Ta  Ta3  1  0.15  0.59  0.66  1.0
  Ta  Ta4  1  0.58  0.41  0.89  1.0
  Ta  Ta5  1  0.58  0.92  0.44  1.0

La La La Ta Ta Ta
La La La Ta Ta Ta 0 3 o - o 0 1 o o o 0 5 - o o 1 3 o - o 1 5 - o o 2 4 - o - 2 5 - o o 3 5 o o o 4 5 o o o 
LaTa crystallizes in the triclinic P1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one La(2), one Ta(1), and one Ta(3) atom. The La(1)-La(2) bond length is 2.29 Å. The La(1)-Ta(1) bond length is 1.52 Å. The La(1)-Ta(3) bond length is 2.78 Å. In the second La site, La(2) is bonded in a 7-coordinate geometry to one La(1), one La(3), one Ta(2), two equivalent Ta(1), and two equivalent Ta(3) atoms. The La(2)-La(3) bond length is 2.94 Å. The La(2)-Ta(2) bond length is 2.96 Å. There is one shorter (2.63 Å) and one longer (3.52 Å) La(2)-Ta(1) bond length. There is one shorter (2.56 Å) and one longer (3.62 Å) La(2)-Ta(3) bond length. In the third La site, La(3) is bonded in a single-bond geometry to one La(2), one Ta(2), and one Ta(3) atom. The La(3)-Ta(2) bond length is 1.55 Å. The La(3)-Ta(3) bond length is 2.86 Å. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one La(1) and two equivalent La(2) atoms. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one La(2) and one La(3) atom. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one La(1), one La(3), and two equivalent La(2) atoms.