data_Hf3U
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3U
_chemical_formula_sum   'Hf6 U2'
_cell_volume   180.92
_cell_formula_units_Z   2
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  0.79  0.97  1.0
  Hf  Hf1  1  0.59  0.55  0.97  1.0
  Hf  Hf2  1  0.41  0.55  0.97  1.0
  Hf  Hf3  1  0.14  0.65  0.32  1.0
  Hf  Hf4  1  0.55  0.89  0.32  1.0
  Hf  Hf5  1  0.73  0.89  0.32  1.0
  U  U6  1  0.0  0.63  0.32  1.0
  U  U7  1  0.14  0.81  0.97  1.0

data_Hf3U
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.29
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf3U
_chemical_formula_sum   'Hf6 U2'
_cell_volume   180.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.18  0.07  0.43  1.0
  Hf  Hf1  2  0.18  0.48  0.67  1.0
  Hf  Hf2  2  0.18  0.66  0.67  1.0
  U  U3  2  0.18  0.93  0.41  1.0

Hf Hf Hf Hf Hf Hf U U
Hf Hf Hf Hf Hf Hf U U 0 7 o o o 1 2 o o o 3 6 o o o 4 5 o o o 