data_CoNiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   3.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiW
_chemical_formula_sum   'Co1 Ni1 W1'
_cell_volume   44.52
_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
  Ni  Ni1  1  0.81  0.81  0.81  1.0
  W  W2  1  0.41  0.41  0.41  1.0

data_CoNiW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoNiW
_chemical_formula_sum   'Co3 Ni3 W3'
_cell_volume   133.55
_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
  Ni  Ni1  3  0.0  0.0  0.19  1.0
  W  W2  3  0.0  0.0  0.59  1.0

Co Ni W
CoNiW crystallizes in the trigonal R3m space group. W(1) is bonded in a distorted hexagonal planar geometry to three equivalent Co(1) and three equivalent Ni(1) atoms. All W(1)-Co(1) bond lengths are 2.40 Å. All W(1)-Ni(1) bond lengths are 2.40 Å. Co(1) is bonded to three equivalent W(1) and one Ni(1) atom to form distorted CoNiW3 tetrahedra that share corners with three equivalent Ni(1)CoW3 tetrahedra, corners with six equivalent Co(1)NiW3 tetrahedra, and edges with three equivalent Ni(1)CoW3 tetrahedra. The Co(1)-Ni(1) bond length is 1.82 Å. Ni(1) is bonded to three equivalent W(1) and one Co(1) atom to form distorted NiCoW3 tetrahedra that share corners with three equivalent Co(1)NiW3 tetrahedra, corners with six equivalent Ni(1)CoW3 tetrahedra, and edges with three equivalent Co(1)NiW3 tetrahedra.