data_La2NbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.78
_cell_length_b   11.78
_cell_length_c   11.78
_cell_angle_alpha   14.82
_cell_angle_beta   14.82
_cell_angle_gamma   14.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbW
_chemical_formula_sum   'La2 Nb1 W1'
_cell_volume   93.06
_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  0.27  1.0
  La  La1  1  0.0  0.0  0.67  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.47  1.0

data_La2NbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   98.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2NbW
_chemical_formula_sum   'La4 Nb2 W2'
_cell_volume   186.12
_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  0.0  0.0  0.33  1.0
  La  La1  2  0.0  0.0  0.73  1.0
  Nb  Nb2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.53  1.0

La La Nb W
La La Nb W 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
La2NbW crystallizes in the monoclinic Cm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one Nb(1) and one W(1) atom. The La(1)-Nb(1) bond length is 3.19 Å. The La(1)-W(1) bond length is 2.36 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Nb(1) and one W(1) atom. The La(2)-Nb(1) bond length is 3.87 Å. The La(2)-W(1) bond length is 2.36 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to one La(1); one La(2); and six Nb(1,1) atoms. All Nb(1)-Nb(1,1) bond lengths are 3.04 Å. In the second Nb site, Nb(1) is bonded in a 8-coordinate geometry to one La(1); one La(2); and six Nb(1,1) atoms. The Nb(1)-La(1) bond length is 3.19 Å. The Nb(1)-La(2) bond length is 3.87 Å. Both Nb(1)-Nb(1) bond lengths are 3.04 Å. W(1) is bonded in a linear geometry to one La(1) and one La(2) atom.