data_LaTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Zn
_chemical_formula_sum   'La1 Ta2 Zn1'
_cell_volume   83.39
_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  0.74  0.0  0.51  1.0
  Ta  Ta1  1  0.0  0.0  0.52  1.0
  Ta  Ta2  1  0.74  0.0  0.38  1.0
  Zn  Zn3  1  0.0  0.0  0.23  1.0

data_LaTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Zn
_chemical_formula_sum   'La1 Ta2 Zn1'
_cell_volume   83.39
_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  0.74  0.0  0.51  1.0
  Ta  Ta1  1  0.0  0.0  0.52  1.0
  Ta  Ta2  1  0.74  0.0  0.38  1.0
  Zn  Zn3  1  0.0  0.0  0.23  1.0

La Ta Ta Zn
La Ta Ta Zn 0 1 + o o 0 2 o o o 2 3 + o o 
LaTa2Zn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaTa2Zn cluster. La(1) is bonded in a distorted water-like geometry to one Ta(1) and one Ta(2) atom. The La(1)-Ta(1) bond length is 0.78 Å. The La(1)-Ta(2) bond length is 1.21 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one La(1) atom. In the second Ta site, Ta(2) is bonded in a distorted bent 150 degrees geometry to one La(1) and one Zn(1) atom. The Ta(2)-Zn(1) bond length is 1.69 Å. Zn(1) is bonded in a single-bond geometry to one Ta(2) atom.