data_Cr3W13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   89.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3W13
_chemical_formula_sum   'Cr3 W13'
_cell_volume   247.08
_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  0.72  0.0  0.01  1.0
  Cr  Cr1  1  0.0  0.0  0.21  1.0
  Cr  Cr2  1  0.56  0.0  0.01  1.0
  W  W3  1  0.72  0.19  0.22  1.0
  W  W4  1  0.72  0.0  0.43  1.0
  W  W5  1  0.72  0.81  0.22  1.0
  W  W6  1  0.0  0.73  0.45  1.0
  W  W7  1  0.0  0.27  0.45  1.0
  W  W8  1  0.0  0.0  0.7  1.0
  W  W9  1  0.55  0.19  0.22  1.0
  W  W10  1  0.56  0.0  0.43  1.0
  W  W11  1  0.55  0.81  0.22  1.0
  W  W12  1  0.14  0.0  0.18  1.0
  W  W13  1  0.14  0.75  0.44  1.0
  W  W14  1  0.14  0.25  0.44  1.0
  W  W15  1  0.14  0.0  0.71  1.0

data_Cr3W13
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr3W13
_chemical_formula_sum   'Cr3 W13'
_cell_volume   247.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.79  0.0  0.0  1.0
  Cr  Cr1  1  0.99  0.0  0.28  1.0
  Cr  Cr2  1  0.99  0.0  0.44  1.0
  W  W3  2  0.55  0.27  -0.0  1.0
  W  W4  2  0.56  0.25  0.86  1.0
  W  W5  2  0.78  0.19  0.28  1.0
  W  W6  2  0.78  0.19  0.45  1.0
  W  W7  1  0.29  0.0  0.86  1.0
  W  W8  1  0.3  0.0  0.0  1.0
  W  W9  1  0.57  0.0  0.28  1.0
  W  W10  1  0.57  0.0  0.44  1.0
  W  W11  1  0.82  0.0  0.86  1.0

Cr Cr Cr W W W W W W W W W W W W W
W13Cr3 is alpha Po structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one W13Cr3 cluster. There are nine inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one W(2), one W(5), one Cr(1), and one Cr(2) atom. The W(1)-W(2) bond length is 1.76 Å. The W(1)-W(5) bond length is 1.06 Å. The W(1)-Cr(1) bond length is 1.78 Å. The W(1)-Cr(2) bond length is 2.10 Å. In the second W site, W(2) is bonded in a 4-coordinate geometry to one W(6), two equivalent W(1), and one Cr(2) atom. The W(2)-W(6) bond length is 1.06 Å. The W(2)-Cr(2) bond length is 2.19 Å. In the third W site, W(3) is bonded in a 2-coordinate geometry to one W(8) and one Cr(2) atom. The W(3)-W(8) bond length is 0.88 Å. The W(3)-Cr(2) bond length is 2.26 Å. In the fourth W site, W(4) is bonded in a 2-coordinate geometry to one W(9) and one Cr(1) atom. The W(4)-W(9) bond length is 0.87 Å. The W(4)-Cr(1) bond length is 2.60 Å. In the fifth W site, W(5) is bonded in a 3-coordinate geometry to one W(1), one W(6), and one Cr(3) atom. The W(5)-W(6) bond length is 1.76 Å. The W(5)-Cr(3) bond length is 1.78 Å. In the sixth W site, W(6) is bonded in a 3-coordinate geometry to one W(2) and two equivalent W(5) atoms. In the seventh W site, W(7) is bonded in a single-bond geometry to one Cr(2) atom. The W(7)-Cr(2) bond length is 0.90 Å. In the eighth W site, W(8) is bonded in a single-bond geometry to one W(3) atom. In the ninth W site, W(9) is bonded in a distorted single-bond geometry to one W(4) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted rectangular see-saw-like geometry to one W(4), two equivalent W(1), and one Cr(3) atom. The Cr(1)-Cr(3) bond length is 1.00 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one W(2), one W(7), two equivalent W(1), and two equivalent W(3) atoms. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to two equivalent W(5) and one Cr(1) atom.