data_ZrRhW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRhW4
_chemical_formula_sum   'Zr1 Rh1 W4'
_cell_volume   106.18
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.64  0.64  0.64  1.0
  W  W1  1  0.71  0.81  0.71  1.0
  W  W2  1  0.81  0.71  0.71  1.0
  W  W3  1  0.81  0.81  0.81  1.0
  W  W4  1  0.71  0.71  0.81  1.0

data_ZrRhW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   13.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrRhW4
_chemical_formula_sum   'Zr3 Rh3 W12'
_cell_volume   318.54
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  Rh  Rh1  3  0.0  0.0  0.36  1.0
  W  W2  9  0.03  0.07  0.26  1.0
  W  W3  3  0.0  0.0  0.19  1.0

Zr Rh W W W W
ZrW4Rh crystallizes in the trigonal R3m space group. Zr(1) is bonded in a distorted single-bond geometry to one W(2) and three equivalent Rh(1) atoms. The Zr(1)-W(2) bond length is 2.49 Å. All Zr(1)-Rh(1) bond lengths are 3.09 Å. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 4-coordinate geometry to one Zr(1) and three equivalent W(1) atoms. All W(2)-W(1) bond lengths are 0.93 Å. In the second W site, W(1) is bonded in a 2-coordinate geometry to one W(2), two equivalent W(1), and one Rh(1) atom. Both W(1)-W(1) bond lengths are 0.54 Å. The W(1)-Rh(1) bond length is 1.39 Å. Rh(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent W(1) atoms.