# generated using pymatgen
data_Li(HfS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21919518
_cell_length_b   7.21919521
_cell_length_c   8.84233901
_cell_angle_alpha   52.15711239
_cell_angle_beta   52.15711335
_cell_angle_gamma   59.92385352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(HfS2)4
_chemical_formula_sum   'Li1 Hf4 S8'
_cell_volume   281.57462592
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.25739113  0.25739113  0.00200138  1.0
  Hf  Hf2  1  0.74260887  0.74260887  0.99799862  1.0
  Hf  Hf3  1  0.24701826  0.75298174  0.50000000  1.0
  Hf  Hf4  1  0.75298174  0.24701826  0.50000000  1.0
  S  S5  1  0.30003284  0.30003284  0.67190954  1.0
  S  S6  1  0.79917419  0.79917419  0.66331480  1.0
  S  S7  1  0.29292785  0.80462415  0.16624249  1.0
  S  S8  1  0.80462415  0.29292785  0.16624249  1.0
  S  S9  1  0.19537585  0.70707215  0.83375751  1.0
  S  S10  1  0.70707215  0.19537585  0.83375751  1.0
  S  S11  1  0.20082581  0.20082581  0.33668520  1.0
  S  S12  1  0.69996716  0.69996716  0.32809046  1.0