data_Cr2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   16.63
_cell_angle_beta   16.63
_cell_angle_gamma   16.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuW
_chemical_formula_sum   'Cr2 Cu1 W1'
_cell_volume   53.62
_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
  Cr  Cr0  1  0.0  0.0  0.07  1.0
  Cr  Cr1  1  0.0  0.0  0.82  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.44  1.0

data_Cr2CuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   2.63
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuW
_chemical_formula_sum   'Cr4 Cu2 W2'
_cell_volume   107.25
_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
  Cr  Cr0  2  0.0  0.0  0.18  1.0
  Cr  Cr1  2  0.0  0.0  0.93  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.56  1.0

Cr Cr Cu W
Cr Cr Cu W 0 2 o o o 1 2 o o + 3 3 o + - 3 3 + - o 3 3 + o - 
WCr2Cu crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to six W(1,1); one Cr(1); and one Cr(2) atom to form a mixture of corner and edge-sharing WCr2W6 hexagonal bipyramids. All W(1)-W(1,1) bond lengths are 2.63 Å. The W(1)-Cr(1) bond length is 3.39 Å. The W(1)-Cr(2) bond length is 3.39 Å. In the second W site, W(1) is bonded to six W(1,1); one Cr(1); and one Cr(2) atom to form a mixture of corner and edge-sharing WCr2W6 hexagonal bipyramids. Both W(1)-W(1) bond lengths are 2.63 Å. The W(1)-Cr(1) bond length is 3.39 Å. The W(1)-Cr(2) bond length is 3.39 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom. The Cr(1)-Cu(1) bond length is 0.65 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom. The Cr(2)-Cu(1) bond length is 1.67 Å. Cu(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Cr(2) atom.