data_NdCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCrW2
_chemical_formula_sum   'Nd1 Cr1 W2'
_cell_volume   69.21
_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
  Nd  Nd1  1  0.26  0.26  0.26  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.63  0.63  0.63  1.0
  W  W3  1  0.89  0.89  0.89  1.0

data_NdCrW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NdCrW2
_chemical_formula_sum   'Nd3 Cr3 W6'
_cell_volume   207.64
_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
  Nd  Nd0  3  0.0  0.0  0.74  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.11  1.0
  W  W3  3  0.0  0.0  0.37  1.0

Nd Cr W W
NdW2Cr crystallizes in the trigonal R3m space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent W(1), three equivalent W(2), and one Cr(1) atom. All Nd(1)-W(1) bond lengths are 2.69 Å. All Nd(1)-W(2) bond lengths are 2.69 Å. The Nd(1)-Cr(1) bond length is 2.92 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1) and three equivalent Cr(1) atoms. All W(1)-Cr(1) bond lengths are 2.69 Å. In the second W site, W(2) is bonded in a single-bond geometry to three equivalent Nd(1) and one Cr(1) atom. The W(2)-Cr(1) bond length is 1.26 Å. Cr(1) is bonded in a single-bond geometry to one Nd(1), one W(2), and three equivalent W(1) atoms.