data_La2TaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.8
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaRu
_chemical_formula_sum   'La2 Ta1 Ru1'
_cell_volume   90.91
_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  0.88  0.4  0.42  1.0
  La  La1  1  0.32  0.4  0.39  1.0
  Ta  Ta3  1  0.1  0.0  0.91  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_La2TaRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.8
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaRu
_chemical_formula_sum   'La2 Ta1 Ru1'
_cell_volume   90.91
_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  0.32  0.4  0.39  1.0
  La  La1  1  0.88  0.4  0.42  1.0
  Ta  Ta2  1  0.1  0.0  0.91  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

La La Ta Ru
La2TaRu 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 two equivalent La(2), two equivalent Ta(1), and two equivalent Ru(1) atoms. There is one shorter (1.49 Å) and one longer (1.78 Å) La(1)-La(2) bond length. There is one shorter (3.42 Å) and one longer (4.03 Å) La(1)-Ta(1) bond length. There is one shorter (3.23 Å) and one longer (3.87 Å) La(1)-Ru(1) bond length. In the second La site, La(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Ru(1) atom. The La(2)-Ru(1) bond length is 3.05 Å. Ta(1) is bonded in a single-bond geometry to two equivalent La(1) and one Ru(1) atom. The Ta(1)-Ru(1) bond length is 0.69 Å. Ru(1) is bonded in a single-bond geometry to one La(2), two equivalent La(1), and one Ta(1) atom.