# generated using pymatgen
data_Ca(HfS2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22937220
_cell_length_b   7.22937140
_cell_length_c   13.04260633
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(HfS2)8
_chemical_formula_sum   'Ca1 Hf8 S16'
_cell_volume   590.33180630
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.50187880  0.49812120  0.73801966  1.0
  Hf  Hf2  1  0.49812120  0.50187880  0.26198034  1.0
  Hf  Hf3  1  0.50187880  0.00375661  0.73801966  1.0
  Hf  Hf4  1  0.49812120  0.99624339  0.26198034  1.0
  Hf  Hf5  1  0.99624339  0.49812120  0.73801966  1.0
  Hf  Hf6  1  0.00375661  0.50187880  0.26198034  1.0
  Hf  Hf7  1  0.00000000  0.00000000  0.72754423  1.0
  Hf  Hf8  1  0.00000000  0.00000000  0.27245577  1.0
  S  S9  1  0.83556597  0.67113294  0.14958557  1.0
  S  S10  1  0.83122069  0.66244239  0.62489134  1.0
  S  S11  1  0.83556597  0.16443403  0.14958557  1.0
  S  S12  1  0.83122069  0.16877931  0.62489134  1.0
  S  S13  1  0.33333300  0.66666700  0.14842832  1.0
  S  S14  1  0.33333300  0.66666700  0.63056620  1.0
  S  S15  1  0.32886706  0.16443403  0.14958557  1.0
  S  S16  1  0.33755761  0.16877931  0.62489134  1.0
  S  S17  1  0.67113294  0.83556597  0.85041443  1.0
  S  S18  1  0.66244239  0.83122069  0.37510866  1.0
  S  S19  1  0.66666700  0.33333300  0.85157168  1.0
  S  S20  1  0.66666700  0.33333300  0.36943380  1.0
  S  S21  1  0.16443403  0.83556597  0.85041443  1.0
  S  S22  1  0.16877931  0.83122069  0.37510866  1.0
  S  S23  1  0.16443403  0.32886706  0.85041443  1.0
  S  S24  1  0.16877931  0.33755761  0.37510866  1.0