# generated using pymatgen
data_Hf6CN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55618784
_cell_length_b   5.55618761
_cell_length_c   5.55884232
_cell_angle_alpha   99.71500062
_cell_angle_beta   99.71499258
_cell_angle_gamma   120.07588277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6CN4
_chemical_formula_sum   'Hf6 C1 N4'
_cell_volume   139.76961283
_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  0.42692807  0.08364255  0.25248362  1.0
  Hf  Hf1  1  0.08364255  0.42692807  0.25248362  1.0
  Hf  Hf2  1  0.74109890  0.74109890  0.25822257  1.0
  Hf  Hf3  1  0.25890210  0.25890210  0.74177743  1.0
  Hf  Hf4  1  0.91635745  0.57307193  0.74751438  1.0
  Hf  Hf5  1  0.57307193  0.91635745  0.74751438  1.0
  C  C6  1  0.49999900  0.49999900  0.50000000  1.0
  N  N7  1  0.66473015  0.33526885  0.00000000  1.0
  N  N8  1  0.33526885  0.66473015  1.00000000  1.0
  N  N9  1  0.83204332  0.16795568  0.50000000  1.0
  N  N10  1  0.16795568  0.83204332  0.50000000  1.0