# generated using pymatgen
data_Hf3C2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35541317
_cell_length_b   3.35541423
_cell_length_c   17.26247234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3C2S
_chemical_formula_sum   'Hf6 C4 S2'
_cell_volume   168.31616183
_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  Hf0  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.33333400  0.66666800  0.14373855  1.0
  Hf  Hf2  1  0.33333400  0.66666800  0.35626145  1.0
  Hf  Hf3  1  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf4  1  0.66666700  0.33333200  0.64373855  1.0
  Hf  Hf5  1  0.66666700  0.33333200  0.85626145  1.0
  C  C6  1  0.66666700  0.33333200  0.07915567  1.0
  C  C7  1  0.66666700  0.33333200  0.42084433  1.0
  C  C8  1  0.33333400  0.66666800  0.57915467  1.0
  C  C9  1  0.33333400  0.66666800  0.92084533  1.0
  S  S10  1  0.00000000  0.00000000  0.25000000  1.0
  S  S11  1  0.00000000  0.00000000  0.75000000  1.0