# generated using pymatgen
data_Li(HfS2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23977932
_cell_length_b   7.23977945
_cell_length_c   12.38381227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998576
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(HfS2)8
_chemical_formula_sum   'Li1 Hf8 S16'
_cell_volume   562.12864717
_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  0.50093430  0.49906570  0.74917079  1.0
  Hf  Hf2  1  0.49906570  0.50093430  0.25082921  1.0
  Hf  Hf3  1  0.50093430  0.00186661  0.74917079  1.0
  Hf  Hf4  1  0.49906570  0.99813339  0.25082921  1.0
  Hf  Hf5  1  0.99813339  0.49906570  0.74917079  1.0
  Hf  Hf6  1  0.00186661  0.50093430  0.25082921  1.0
  Hf  Hf7  1  0.00000000  0.00000000  0.73825982  1.0
  Hf  Hf8  1  0.00000000  0.00000000  0.26174018  1.0
  S  S9  1  0.83632092  0.67264385  0.13497704  1.0
  S  S10  1  0.83111037  0.66222074  0.62995929  1.0
  S  S11  1  0.83632092  0.16367908  0.13497704  1.0
  S  S12  1  0.83111037  0.16888963  0.62995929  1.0
  S  S13  1  0.33333300  0.66666700  0.13322629  1.0
  S  S14  1  0.33333300  0.66666700  0.63503700  1.0
  S  S15  1  0.32735615  0.16367908  0.13497704  1.0
  S  S16  1  0.33777926  0.16888963  0.62995929  1.0
  S  S17  1  0.67264385  0.83632092  0.86502296  1.0
  S  S18  1  0.66222074  0.83111037  0.37004071  1.0
  S  S19  1  0.66666700  0.33333300  0.86677371  1.0
  S  S20  1  0.66666700  0.33333300  0.36496300  1.0
  S  S21  1  0.16367908  0.83632092  0.86502296  1.0
  S  S22  1  0.16888963  0.83111037  0.37004071  1.0
  S  S23  1  0.16367908  0.32735615  0.86502296  1.0
  S  S24  1  0.16888963  0.33777926  0.37004071  1.0