data_CaTeW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTeW4
_chemical_formula_sum   'Ca1 Te1 W4'
_cell_volume   117.76
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.95  0.95  0.95  1.0
  W  W2  1  0.91  0.91  0.87  1.0
  W  W3  1  0.91  0.87  0.91  1.0
  W  W4  1  0.87  0.91  0.91  1.0
  W  W5  1  0.87  0.87  0.87  1.0

data_CaTeW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   13.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaTeW4
_chemical_formula_sum   'Ca3 Te3 W12'
_cell_volume   353.28
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.0  0.05  1.0
  W  W2  9  0.03  0.02  0.1  1.0
  W  W3  3  0.0  0.0  0.13  1.0

Ca Te W W W W
Ca Te W W W W 0 1 - - - 1 4 o o o 1 3 o o o 1 2 o o o 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 
CaTe(W)4 is alpha carbon monoxide-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three calcium telluride molecules and three W clusters. In each W cluster, 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 0.43 Å. In the second W site, W(1) is bonded in a 2-coordinate geometry to one W(2) and two equivalent W(1) atoms. Both W(1)-W(1) bond lengths are 0.25 Å.