data_LaNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbW2
_chemical_formula_sum   'La1 Nb1 W2'
_cell_volume   78.0
_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  0.44  0.44  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.44  0.64  1.0
  W  W3  1  0.44  0.0  0.64  1.0

data_LaNbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNbW2
_chemical_formula_sum   'La2 Nb2 W4'
_cell_volume   156.01
_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  2  0.44  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  W  W2  4  0.22  0.22  0.64  1.0

La Nb W W
La Nb W W 0 1 o o o 0 2 o o - 0 2 o o o 0 2 + o - 0 3 o o - 0 3 o o o 0 3 o + - 1 3 - o - 1 3 o o - 1 3 o o o 1 2 o - - 1 2 o o - 1 2 o o o 2 3 o o o 
LaNbW2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaNbW2 clusters. La(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. Both La(1)-W(1) bond lengths are 2.44 Å. Nb(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. Both Nb(1)-W(1) bond lengths are 2.44 Å. W(1) is bonded in a 2-coordinate geometry to one La(1) and one Nb(1) atom.