data_CsLaW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsLaW3
_chemical_formula_sum   'Cs1 La1 W3'
_cell_volume   128.31
_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
  Cs  Cs0  1  0.0  0.0  0.0  1.0
  La  La4  1  0.52  0.52  0.52  1.0
  W  W1  1  0.0  0.52  0.0  1.0
  W  W2  1  0.0  0.0  0.52  1.0
  W  W3  1  0.52  0.0  0.0  1.0

data_CsLaW3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsLaW3
_chemical_formula_sum   'Cs3 La3 W9'
_cell_volume   384.92
_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
  Cs  Cs0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.52  1.0
  W  W2  9  0.01  0.51  0.51  1.0

Cs La W W W
CsLaW3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded to six equivalent W(1) atoms to form CsW6 octahedra that share corners with six equivalent Cs(1)W6 octahedra and faces with eight equivalent La(1)W12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.41 Å) and three longer (2.63 Å) Cs(1)-W(1) bond lengths. La(1) is bonded to twelve equivalent W(1) atoms to form LaW12 cuboctahedra that share corners with twelve equivalent La(1)W12 cuboctahedra, faces with six equivalent La(1)W12 cuboctahedra, and faces with eight equivalent Cs(1)W6 octahedra. There are a spread of La(1)-W(1) bond distances ranging from 3.41-3.72 Å. W(1) is bonded in a distorted linear geometry to two equivalent Cs(1) and four equivalent La(1) atoms.