data_LaRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   149.24
_cell_angle_beta   130.99
_cell_angle_gamma   58.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuW2
_chemical_formula_sum   'La1 Ru1 W2'
_cell_volume   75.35
_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  0.06  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.54  0.0  0.34  1.0
  W  W3  1  0.0  0.41  0.72  1.0

data_LaRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.82
_cell_length_c   5.82
_cell_angle_alpha   114.5
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuW2
_chemical_formula_sum   'La1 Ru1 W2'
_cell_volume   75.35
_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  0.94  0.94  0.94  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.2  0.66  0.2  1.0
  W  W3  1  0.28  0.69  0.69  1.0

La Ru W W
La Ru W W 0 1 o o o 0 2 o o o 0 3 o - - 0 3 o o o 1 2 o o o 1 2 - o - 1 3 o - - 1 3 o o o 2 3 + o o 
LaW2Ru crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one W(1), two equivalent W(2), and one Ru(1) atom. The La(1)-W(1) bond length is 2.43 Å. There is one shorter (2.00 Å) and one longer (2.17 Å) La(1)-W(2) bond length. The La(1)-Ru(1) bond length is 0.36 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one La(1), one W(2), two equivalent W(1), and two equivalent Ru(1) atoms. The W(1)-W(2) bond length is 2.71 Å. Both W(1)-W(1) bond lengths are 3.09 Å. There is one shorter (2.38 Å) and one longer (2.91 Å) W(1)-Ru(1) bond length. In the second W site, W(2) is bonded in an L-shaped geometry to two equivalent La(1) and one W(1) atom. Ru(1) is bonded in a single-bond geometry to one La(1) and two equivalent W(1) atoms.