data_HfU
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfU
_chemical_formula_sum   'Hf1 U1'
_cell_volume   43.56
_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  0.0  1.0
  U  U1  1  0.48  0.48  0.49  1.0

data_HfU
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfU
_chemical_formula_sum   'Hf2 U2'
_cell_volume   87.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  U  U1  2  0.48  0.0  0.49  1.0

Hf U
UHf is alpha La-derived structured and crystallizes in the monoclinic Cm space group. U(1) is bonded to four equivalent U(1) and eight equivalent Hf(1) atoms to form UHf8U4 cuboctahedra that share corners with twelve equivalent U(1)Hf8U4 cuboctahedra, edges with eight equivalent U(1)Hf8U4 cuboctahedra, edges with sixteen equivalent Hf(1)Hf4U8 cuboctahedra, faces with eight equivalent Hf(1)Hf4U8 cuboctahedra, and faces with ten equivalent U(1)Hf8U4 cuboctahedra. All U(1)-U(1) bond lengths are 2.96 Å. There are a spread of U(1)-Hf(1) bond distances ranging from 3.14-3.36 Å. Hf(1) is bonded to eight equivalent U(1) and four equivalent Hf(1) atoms to form HfHf4U8 cuboctahedra that share corners with twelve equivalent Hf(1)Hf4U8 cuboctahedra, edges with eight equivalent Hf(1)Hf4U8 cuboctahedra, edges with sixteen equivalent U(1)Hf8U4 cuboctahedra, faces with eight equivalent U(1)Hf8U4 cuboctahedra, and faces with ten equivalent Hf(1)Hf4U8 cuboctahedra. All Hf(1)-Hf(1) bond lengths are 2.96 Å.