data_Hf2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   105.92
_cell_angle_beta   105.92
_cell_angle_gamma   116.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2C
_chemical_formula_sum   'Hf4 C2'
_cell_volume   88.69
_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  Hf2  1  0.01  0.94  0.0  1.0
  Hf  Hf3  1  0.94  0.01  0.56  1.0
  Hf  Hf4  1  0.95  0.01  0.0  1.0
  Hf  Hf5  1  0.99  0.94  0.56  1.0
  C  C0  1  0.0  0.0  0.84  1.0
  C  C1  1  0.0  0.0  0.28  1.0

data_Hf2C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   8.33
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   121.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2C
_chemical_formula_sum   'Hf8 C4'
_cell_volume   177.39
_cell_formula_units_Z   4
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  4  0.41  0.04  0.44  1.0
  Hf  Hf1  4  0.47  0.46  -0.0  1.0
  C  C2  2  0.16  0.0  0.16  1.0
  C  C3  2  0.22  0.5  0.72  1.0

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