data_YCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrW2
_chemical_formula_sum   'Y1 Cr1 W2'
_cell_volume   67.72
_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  Y3  1  0.24  0.24  0.24  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.62  0.62  0.62  1.0
  W  W2  1  0.85  0.85  0.85  1.0

data_YCrW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCrW2
_chemical_formula_sum   'Y3 Cr3 W6'
_cell_volume   203.16
_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  3  0.0  0.0  0.76  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.15  1.0
  W  W3  3  0.0  0.0  0.38  1.0

Y Cr W W
YW2Cr crystallizes in the trigonal R3m space group. Y(1) is bonded in a 10-coordinate geometry to three equivalent W(1), three equivalent W(2), and four equivalent Cr(1) atoms. All Y(1)-W(1) bond lengths are 2.70 Å. All Y(1)-W(2) bond lengths are 2.70 Å. There is one shorter (2.64 Å) and three longer (2.86 Å) Y(1)-Cr(1) bond lengths. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent Cr(1) atoms. All W(1)-Cr(1) bond lengths are 2.70 Å. In the second W site, W(2) is bonded in a single-bond geometry to three equivalent Y(1) and one Cr(1) atom. The W(2)-Cr(1) bond length is 1.65 Å. Cr(1) is bonded in a distorted single-bond geometry to four equivalent Y(1), one W(2), and three equivalent W(1) atoms.