# generated using pymatgen
data_CeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10556400
_cell_length_b   8.07099426
_cell_length_c   16.28337013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99473794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeS2
_chemical_formula_sum   'Ce8 S16'
_cell_volume   539.56548179
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.78005844  0.87074877  0.86439362  1.0
  Ce  Ce1  1  0.21994156  0.12925123  0.36439362  1.0
  Ce  Ce2  1  0.71990179  0.37075067  0.86439076  1.0
  Ce  Ce3  1  0.28009821  0.62925033  0.36439076  1.0
  Ce  Ce4  1  0.28019110  0.62849412  0.64128015  1.0
  Ce  Ce5  1  0.71980890  0.37150588  0.14128015  1.0
  Ce  Ce6  1  0.21980835  0.12849518  0.64127693  1.0
  Ce  Ce7  1  0.78019165  0.87150482  0.14127693  1.0
  S  S8  1  0.83955656  0.59989978  0.50283372  1.0
  S  S9  1  0.16044344  0.40010022  0.00283372  1.0
  S  S10  1  0.66047724  0.09994043  0.50283867  1.0
  S  S11  1  0.33952276  0.90005957  0.00283867  1.0
  S  S12  1  0.35429632  0.89247473  0.50281450  1.0
  S  S13  1  0.64570368  0.10752527  0.00281450  1.0
  S  S14  1  0.14564782  0.39248834  0.50281382  1.0
  S  S15  1  0.85435218  0.60751166  0.00281382  1.0
  S  S16  1  0.75939480  0.87426510  0.31990363  1.0
  S  S17  1  0.24060520  0.12573490  0.81990363  1.0
  S  S18  1  0.74057655  0.37425168  0.31990020  1.0
  S  S19  1  0.25942345  0.62574832  0.81990020  1.0
  S  S20  1  0.25954867  0.62643108  0.18577976  1.0
  S  S21  1  0.74045133  0.37356892  0.68577976  1.0
  S  S22  1  0.24048305  0.12642789  0.18577424  1.0
  S  S23  1  0.75951695  0.87357211  0.68577424  1.0