data_Hf3C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3C5
_chemical_formula_sum   'Hf3 C5'
_cell_volume   93.97
_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  Hf5  1  0.99  0.0  0.0  1.0
  Hf  Hf6  1  0.99  0.89  0.64  1.0
  Hf  Hf7  1  0.99  0.11  0.64  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.49  0.4  0.0  1.0
  C  C2  1  0.49  0.6  0.0  1.0
  C  C3  1  0.55  0.0  0.64  1.0
  C  C4  1  0.43  0.0  0.64  1.0

data_Hf3C5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   116.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3C5
_chemical_formula_sum   'Hf3 C5'
_cell_volume   93.97
_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  0.99  0.0  1.0
  Hf  Hf1  1  0.64  0.99  0.11  1.0
  Hf  Hf2  1  0.64  0.99  0.89  1.0
  C  C3  1  -0.0  0.49  0.4  1.0
  C  C4  1  -0.0  0.49  0.6  1.0
  C  C5  1  0.0  0.0  0.0  1.0
  C  C6  1  0.64  0.43  0.0  1.0
  C  C7  1  0.64  0.55  0.0  1.0

Hf Hf Hf C C C C C
Hf Hf Hf C C C C C 0 3 + o o 0 1 o - - 0 2 o o - 1 3 + + + 1 2 o + o 2 3 + o + 4 5 o o o 6 7 o o o 