data_LaBW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBW4
_chemical_formula_sum   'La1 B1 W4'
_cell_volume   113.61
_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  La1  1  0.92  0.92  0.92  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.88  0.88  0.81  1.0
  W  W3  1  0.88  0.81  0.88  1.0
  W  W4  1  0.81  0.88  0.88  1.0
  W  W5  1  0.81  0.81  0.81  1.0

data_LaBW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   13.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaBW4
_chemical_formula_sum   'La3 B3 W12'
_cell_volume   340.82
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.08  1.0
  B  B1  3  0.0  0.0  -0.0  1.0
  W  W2  9  0.05  0.03  0.14  1.0
  W  W3  3  0.0  0.0  0.19  1.0

La B W W W W
La B W W W W 0 4 o o o 0 3 o o o 0 2 o o o 0 1 + + + 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
LaW4B is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three LaW4B clusters. La(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent W(1) and one B(1) atom. All La(1)-W(1) bond lengths are 0.90 Å. The La(1)-B(1) bond length is 1.04 Å. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 3-coordinate geometry to three equivalent W(1) atoms. All W(2)-W(1) bond lengths are 0.71 Å. In the second W site, W(1) is bonded in a 4-coordinate geometry to one La(1), one W(2), and two equivalent W(1) atoms. Both W(1)-W(1) bond lengths are 0.41 Å. B(1) is bonded in a single-bond geometry to one La(1) atom.