data_CaMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   18.18
_cell_angle_beta   18.18
_cell_angle_gamma   18.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMoW2
_chemical_formula_sum   'Ca1 Mo1 W2'
_cell_volume   75.92
_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
  Mo  Mo1  1  0.0  0.0  0.2  1.0
  W  W2  1  0.0  0.0  0.65  1.0
  W  W3  1  0.0  0.0  0.75  1.0

data_CaMoW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMoW2
_chemical_formula_sum   'Ca2 Mo2 W4'
_cell_volume   151.85
_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+1/2, y+1/2, z'
  4  '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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.8  1.0
  W  W2  2  0.0  0.0  0.25  1.0
  W  W3  2  0.0  0.0  0.35  1.0

Ca Mo W W
Ca Mo W W 0 1 o o o 2 3 o o o 
CaW2Mo is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaW2Mo clusters. Ca(1) is bonded in a linear geometry to one W(2) and one Mo(1) atom. The Ca(1)-W(2) bond length is 2.38 Å. The Ca(1)-Mo(1) bond length is 1.95 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one W(2) atom. The W(1)-W(2) bond length is 0.98 Å. In the second W site, W(2) is bonded in a linear geometry to one Ca(1) and one W(1) atom. Mo(1) is bonded in a single-bond geometry to one Ca(1) atom.