# generated using pymatgen
data_HfGeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61295349
_cell_length_b   3.61295349
_cell_length_c   7.93376417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeS
_chemical_formula_sum   'Hf2 Ge2 S2'
_cell_volume   103.56285840
_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  0.75000000  0.75000000  0.72618569  1.0
  Hf  Hf1  1  0.25000000  0.25000000  0.27381431  1.0
  Ge  Ge2  1  0.25000000  0.75000000  0.00000000  1.0
  Ge  Ge3  1  0.75000000  0.25000000  0.00000000  1.0
  S  S4  1  0.75000000  0.75000000  0.37985899  1.0
  S  S5  1  0.25000000  0.25000000  0.62014101  1.0