data_La3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.03
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ta
_chemical_formula_sum   'La3 Ta1'
_cell_volume   117.32
_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  0.68  0.52  0.92  1.0
  La  La1  1  0.68  0.52  0.01  1.0
  La  La2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.47  1.0

data_La3Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.03
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ta
_chemical_formula_sum   'La3 Ta1'
_cell_volume   117.32
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.68  0.52  0.01  1.0
  La  La2  1  0.68  0.52  0.92  1.0
  Ta  Ta3  1  0.0  0.0  0.47  1.0

La La La Ta
La La La Ta 0 1 o o + 0 2 + + + 0 2 + o + 0 2 o + + 1 2 + + o 1 2 + o o 1 2 o + o 2 2 + o o 2 3 o o o 2 3 o o - 3 3 + o o 
La3Ta 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) and two equivalent Ta(1) atoms. The La(1)-La(2) bond length is 0.64 Å. There is one shorter (4.12 Å) and one longer (4.22 Å) La(1)-Ta(1) bond length. In the second La site, La(2) is bonded in a single-bond geometry to one La(1) and two equivalent Ta(1) atoms. There is one shorter (4.12 Å) and one longer (4.22 Å) La(2)-Ta(1) bond length. In the third La site, La(3) is bonded in a 1-coordinate geometry to two equivalent Ta(1) atoms. There is one shorter (3.24 Å) and one longer (3.69 Å) La(3)-Ta(1) bond length. Ta(1) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Ta(1) atoms. Both Ta(1)-Ta(1) bond lengths are 3.36 Å.