data_Hf2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2C3
_chemical_formula_sum   'Hf2 C3'
_cell_volume   62.2
_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  Hf3  1  0.96  0.13  0.13  1.0
  Hf  Hf4  1  0.0  0.26  0.54  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.96  0.13  0.38  1.0
  C  C2  1  0.0  0.26  0.3  1.0

data_Hf2C3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2C3
_chemical_formula_sum   'Hf2 C3'
_cell_volume   62.2
_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  0.26  0.54  1.0
  Hf  Hf1  1  0.96  0.13  0.13  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.0  0.26  0.3  1.0
  C  C4  1  0.96  0.13  0.38  1.0

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