data_LaGaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   10.47
_cell_angle_alpha   16.05
_cell_angle_beta   16.05
_cell_angle_gamma   16.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaW2
_chemical_formula_sum   'La1 Ga1 W2'
_cell_volume   76.47
_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  0.0  0.0  0.5  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.88  1.0
  W  W3  1  0.0  0.0  0.12  1.0

data_LaGaW2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.06
_cell_length_b   2.92
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   99.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   LaGaW2
_chemical_formula_sum   'La2 Ga2 W4'
_cell_volume   152.93
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.5  1.0
  W  W2  4  0.0  0.0  0.38  1.0

La Ga W W
La Ga W W 0 0 o + - 0 0 + - o 0 0 + o - 1 2 o o - 1 3 o o o 
LaW2Ga crystallizes in the monoclinic C2/m space group. La(1) is bonded to six equivalent La(1) and two equivalent W(1) atoms to form a mixture of corner and edge-sharing LaLa6W2 hexagonal bipyramids. All La(1)-La(1) bond lengths are 2.92 Å. Both La(1)-W(1) bond lengths are 4.00 Å. W(1) is bonded in a single-bond geometry to one La(1) and one Ga(1) atom. The W(1)-Ga(1) bond length is 1.23 Å. Ga(1) is bonded in a linear geometry to two equivalent W(1) atoms.