data_La2TaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   131.19
_cell_angle_beta   131.19
_cell_angle_gamma   71.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaRu
_chemical_formula_sum   'La2 Ta1 Ru1'
_cell_volume   94.52
_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  0.29  0.25  1.0
  La  La1  1  0.29  0.0  0.25  1.0
  Ta  Ta3  1  0.0  0.0  0.5  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_La2TaRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   125.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TaRu
_chemical_formula_sum   'La4 Ta2 Ru2'
_cell_volume   189.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.4  0.35  0.04  1.0
  Ta  Ta1  2  0.5  0.0  0.5  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

La La Ta Ru
La2TaRu crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to two equivalent Ta(1) and one Ru(1) atom. There is one shorter (2.74 Å) and one longer (3.19 Å) La(1)-Ta(1) bond length. The La(1)-Ru(1) bond length is 1.26 Å. Ta(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Ru(1) atoms. Both Ta(1)-Ru(1) bond lengths are 2.77 Å. Ru(1) is bonded in a distorted water-like geometry to two equivalent La(1) and two equivalent Ta(1) atoms.