data_Y4CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4CoW
_chemical_formula_sum   'Y4 Co1 W1'
_cell_volume   148.88
_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
  Y  Y2  1  0.16  0.16  0.25  1.0
  Y  Y3  1  0.16  0.25  0.16  1.0
  Y  Y4  1  0.25  0.16  0.16  1.0
  Y  Y5  1  0.25  0.25  0.25  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.1  0.1  0.1  1.0

data_Y4CoW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   14.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y4CoW
_chemical_formula_sum   'Y12 Co3 W3'
_cell_volume   446.64
_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
  Y  Y0  9  0.03  0.06  0.81  1.0
  Y  Y1  3  0.0  0.0  0.75  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.9  1.0

Y Y Y Y Co W
Y Y Y Y Co W 0 2 o o o 0 1 o o o 0 3 o o o 0 5 o o o 1 2 o o o 1 3 o o o 1 5 o o o 2 3 o o o 2 5 o o o 4 5 o o o 
Y4WCo crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Y(2), two equivalent Y(1), and one W(1) atom. The Y(1)-Y(2) bond length is 0.97 Å. Both Y(1)-Y(1) bond lengths are 0.56 Å. The Y(1)-W(1) bond length is 1.32 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent Co(1) atoms. All Y(2)-Co(1) bond lengths are 3.62 Å. W(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Y(1) and one Co(1) atom. The W(1)-Co(1) bond length is 1.51 Å. Co(1) is bonded in a single-bond geometry to three equivalent Y(2) and one W(1) atom.