data_CaCr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   19.38
_cell_angle_beta   19.38
_cell_angle_gamma   19.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr2W
_chemical_formula_sum   'Ca1 Cr2 W1'
_cell_volume   71.5
_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
  Cr  Cr1  1  0.0  0.0  0.26  1.0
  Cr  Cr2  1  0.0  0.0  0.39  1.0
  W  W3  1  0.0  0.0  0.33  1.0

data_CaCr2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   101.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCr2W
_chemical_formula_sum   'Ca2 Cr4 W2'
_cell_volume   143.0
_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
  Cr  Cr1  2  0.0  0.0  0.61  1.0
  Cr  Cr2  2  0.0  0.0  0.74  1.0
  W  W3  2  0.0  0.0  0.67  1.0

Ca Cr Cr W
CaWCr2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaWCr2 clusters. Ca(1) is bonded in a single-bond geometry to one Cr(1) atom. The Ca(1)-Cr(1) bond length is 2.40 Å. W(1) is bonded in a linear geometry to one Cr(1) and one Cr(2) atom. The W(1)-Cr(1) bond length is 0.55 Å. The W(1)-Cr(2) bond length is 0.55 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Ca(1) and one W(1) atom. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one W(1) atom.