data_HfC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.9
_cell_angle_alpha   117.08
_cell_angle_beta   117.08
_cell_angle_gamma   40.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfC
_chemical_formula_sum   'Hf3 C3'
_cell_volume   75.16
_cell_formula_units_Z   3
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  Hf3  1  0.43  0.0  0.59  1.0
  Hf  Hf4  1  0.08  0.0  0.94  1.0
  Hf  Hf5  1  0.67  0.0  0.26  1.0
  C  C0  1  0.82  0.0  0.86  1.0
  C  C1  1  0.58  0.0  0.89  1.0
  C  C2  1  0.68  0.0  0.81  1.0

data_HfC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.75
_cell_length_c   5.65
_cell_angle_alpha   68.51
_cell_angle_beta   73.22
_cell_angle_gamma   69.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfC
_chemical_formula_sum   'Hf3 C3'
_cell_volume   75.16
_cell_formula_units_Z   3
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  0.14  0.94  1.0
  Hf  Hf1  1  0.0  0.41  0.26  1.0
  Hf  Hf2  1  0.0  0.84  0.59  1.0
  C  C3  1  0.0  0.69  0.89  1.0
  C  C4  1  0.0  0.87  0.81  1.0
  C  C5  1  0.0  0.96  0.86  1.0

Hf Hf Hf C C C
Hf Hf Hf C C C 0 5 o o o 0 4 o o o 1 3 - o o 2 4 o o - 3 5 o o o 4 5 o o o 