data_ZrMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   144.77
_cell_angle_beta   128.44
_cell_angle_gamma   63.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2W
_chemical_formula_sum   'Zr1 Mo2 W1'
_cell_volume   69.11
_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  Zr3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.62  0.0  0.36  1.0
  Mo  Mo1  1  0.0  0.34  0.19  1.0
  W  W2  1  0.0  0.0  0.55  1.0

data_ZrMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.67
_cell_length_c   5.37
_cell_angle_alpha   115.78
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2W
_chemical_formula_sum   'Zr1 Mo2 W1'
_cell_volume   69.11
_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  Zr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.36  0.74  1.0
  Mo  Mo2  1  0.66  0.86  0.86  1.0
  W  W3  1  0.0  0.55  0.55  1.0

Zr Mo Mo W
Zr Mo Mo W 0 2 o o o 1 3 + o o 
ZrWMo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrWMo2 cluster. Zr(1) is bonded in a single-bond geometry to one Mo(1) and one Mo(2) atom. The Zr(1)-Mo(1) bond length is 2.63 Å. The Zr(1)-Mo(2) bond length is 1.13 Å. W(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. The W(1)-Mo(1) bond length is 1.59 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Zr(1) and one W(1) atom. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Zr(1) atom.