data_La3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_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   'La6 Ta2'
_cell_volume   234.06
_cell_formula_units_Z   2
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  0.08  0.62  0.0  1.0
  La  La1  1  0.08  0.54  0.0  1.0
  La  La2  1  0.62  0.0  0.08  1.0
  La  La3  1  0.0  0.08  0.62  1.0
  La  La4  1  0.0  0.08  0.54  1.0
  La  La5  1  0.54  0.0  0.08  1.0
  Ta  Ta6  1  0.08  0.08  0.08  1.0
  Ta  Ta7  1  0.0  0.0  0.0  1.0

data_La3Ta
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.72
_cell_length_b   8.72
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La3Ta
_chemical_formula_sum   'La18 Ta6'
_cell_volume   702.19
_cell_formula_units_Z   6
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  0.05  0.49  0.57  1.0
  La  La1  9  0.13  0.33  0.87  1.0
  Ta  Ta2  3  0.0  0.0  0.0  1.0
  Ta  Ta3  3  0.0  0.0  0.08  1.0

La La La La La La Ta Ta
La3Ta crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted linear geometry to one La(2) and one Ta(2) atom. The La(1)-La(2) bond length is 0.50 Å. The La(1)-Ta(2) bond length is 2.38 Å. In the second La site, La(2) is bonded in a linear geometry to one La(1) and one Ta(1) atom. The La(2)-Ta(1) bond length is 2.87 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to three equivalent La(2) and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 0.87 Å. In the second Ta site, Ta(2) is bonded in a distorted tetrahedral geometry to three equivalent La(1) and one Ta(1) atom.