data_CeAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAsW2
_chemical_formula_sum   'Ce1 As1 W2'
_cell_volume   74.75
_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
  Ce  Ce1  1  0.34  0.34  0.34  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.02  0.02  0.02  1.0
  W  W3  1  0.67  0.67  0.67  1.0

data_CeAsW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   11.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CeAsW2
_chemical_formula_sum   'Ce3 As3 W6'
_cell_volume   224.25
_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
  Ce  Ce0  3  0.0  0.0  0.66  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.33  1.0
  W  W3  3  0.0  0.0  0.98  1.0

Ce As W W
Ce As W W 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 o - - 2 3 - o - 2 3 - - o 
CeW2As crystallizes in the trigonal R3m space group. Ce(1) is bonded in a 11-coordinate geometry to four equivalent W(1), four equivalent W(2), and three equivalent As(1) atoms. There are three shorter (2.73 Å) and one longer (3.80 Å) Ce(1)-W(1) bond length. There are three shorter (2.73 Å) and one longer (3.80 Å) Ce(1)-W(2) bond length. All Ce(1)-As(1) bond lengths are 2.73 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to four equivalent Ce(1) and one As(1) atom. The W(1)-As(1) bond length is 0.18 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to four equivalent Ce(1) atoms. As(1) is bonded in a single-bond geometry to three equivalent Ce(1) and one W(1) atom.