data_HfMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoW2
_chemical_formula_sum   'Hf1 Mo1 W2'
_cell_volume   68.63
_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
  Hf  Hf0  1  0.0  0.0  0.57  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.62  0.0  0.17  1.0
  W  W3  1  0.62  0.0  0.97  1.0

data_HfMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoW2
_chemical_formula_sum   'Hf1 Mo1 W2'
_cell_volume   68.63
_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
  Hf  Hf0  1  0.0  0.0  0.57  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.62  0.0  0.17  1.0
  W  W3  1  0.62  0.0  0.97  1.0

Hf Mo W W
Hf Mo W W 0 0 + + o 0 0 o + o 0 0 + o o 1 3 - o - 1 2 - o o 2 3 o o - 
HfW2Mo crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 11-coordinate geometry to six equivalent Hf(1), two equivalent W(1), two equivalent W(2), and one Mo(1) atom. There are four shorter (2.83 Å) and two longer (3.23 Å) Hf(1)-Hf(1) bond lengths. There is one shorter (3.81 Å) and one longer (4.05 Å) Hf(1)-W(1) bond length. There is one shorter (3.81 Å) and one longer (4.05 Å) Hf(1)-W(2) bond length. The Hf(1)-Mo(1) bond length is 3.91 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1), one W(2), and two equivalent Mo(1) atoms. The W(1)-W(2) bond length is 1.84 Å. There is one shorter (1.92 Å) and one longer (2.35 Å) W(1)-Mo(1) bond length. In the second W site, W(2) is bonded in a 2-coordinate geometry to two equivalent Hf(1), one W(1), and two equivalent Mo(1) atoms. There is one shorter (1.12 Å) and one longer (1.76 Å) W(2)-Mo(1) bond length. Mo(1) is bonded in a 1-coordinate geometry to one Hf(1), two equivalent W(1), and two equivalent W(2) atoms.