data_CoCu4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu4W
_chemical_formula_sum   'Co1 Cu4 W1'
_cell_volume   73.37
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.15  0.15  0.49  1.0
  Cu  Cu2  1  0.15  0.49  0.15  1.0
  Cu  Cu3  1  0.49  0.15  0.15  1.0
  Cu  Cu4  1  0.49  0.49  0.49  1.0
  W  W5  1  0.98  0.98  0.98  1.0

data_CoCu4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   11.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoCu4W
_chemical_formula_sum   'Co3 Cu12 W3'
_cell_volume   220.12
_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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.11  0.55  0.4  1.0
  Cu  Cu2  3  0.0  0.0  0.51  1.0
  W  W3  3  0.0  0.0  0.02  1.0

Co Cu Cu Cu Cu W
WCoCu4 crystallizes in the trigonal R3m space group. W(1) is bonded in a single-bond geometry to one Co(1) and three equivalent Cu(1) atoms. The W(1)-Co(1) bond length is 0.18 Å. All W(1)-Cu(1) bond lengths are 1.89 Å. Co(1) is bonded in a single-bond geometry to one W(1) and three equivalent Cu(2) atoms. All Co(1)-Cu(2) bond lengths are 3.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one W(1), two equivalent Cu(1), and three equivalent Cu(2) atoms. Both Cu(1)-Cu(1) bond lengths are 1.58 Å. There are two shorter (2.70 Å) and one longer (2.74 Å) Cu(1)-Cu(2) bond length. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Co(1) and nine equivalent Cu(1) atoms.