data_HfMgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgW2
_chemical_formula_sum   'Hf1 Mg1 W2'
_cell_volume   71.79
_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  0.75  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.65  0.0  0.39  1.0
  W  W3  1  0.65  0.0  0.12  1.0

data_HfMgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgW2
_chemical_formula_sum   'Hf1 Mg1 W2'
_cell_volume   71.79
_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  0.75  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.65  0.0  0.12  1.0
  W  W3  1  0.65  0.0  0.39  1.0

Hf Mg W W
Hf Mg W W 0 0 o + o 0 0 + o o 0 1 o o + 1 3 - o o 2 2 o + o 2 2 + o o 2 3 o o o 
MgHfW2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 2-coordinate geometry to one Hf(1) and two equivalent W(2) atoms. The Mg(1)-Hf(1) bond length is 2.36 Å. There is one shorter (1.48 Å) and one longer (2.13 Å) Mg(1)-W(2) bond length. Hf(1) is bonded in a 9-coordinate geometry to one Mg(1), six equivalent Hf(1), and two equivalent W(1) atoms. There are four shorter (2.82 Å) and two longer (3.29 Å) Hf(1)-Hf(1) bond lengths. There is one shorter (3.60 Å) and one longer (3.91 Å) Hf(1)-W(1) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), one W(2), and six equivalent W(1) atoms. The W(1)-W(2) bond length is 2.59 Å. There are four shorter (2.82 Å) and two longer (3.29 Å) W(1)-W(1) bond lengths. In the second W site, W(2) is bonded in a distorted water-like geometry to two equivalent Mg(1) and one W(1) atom.