# generated using pymatgen
data_Ce2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.56266000
_cell_length_b   7.52507200
_cell_length_c   7.83951376
_cell_angle_alpha   78.55466911
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2SiS5
_chemical_formula_sum   'Ce8 Si4 S20'
_cell_volume   726.37050432
_cell_formula_units_Z   4
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  0.83223300  0.83799900  0.63681200  1.0
  Ce  Ce1  1  0.90516900  0.23713400  0.95583700  1.0
  Ce  Ce2  1  0.33223300  0.16200100  0.86318800  1.0
  Ce  Ce3  1  0.40516900  0.76286600  0.54416300  1.0
  Ce  Ce4  1  0.09483100  0.76286600  0.04416300  1.0
  Ce  Ce5  1  0.59483100  0.23713400  0.45583700  1.0
  Ce  Ce6  1  0.16776700  0.16200100  0.36318800  1.0
  Ce  Ce7  1  0.66776700  0.83799900  0.13681200  1.0
  Si  Si8  1  0.11750700  0.67010300  0.59561100  1.0
  Si  Si9  1  0.61750700  0.32989700  0.90438900  1.0
  Si  Si10  1  0.38249300  0.67010300  0.09561100  1.0
  Si  Si11  1  0.88249300  0.32989700  0.40438900  1.0
  S  S12  1  0.70439500  0.12435900  0.80485700  1.0
  S  S13  1  0.97058700  0.17400500  0.61437700  1.0
  S  S14  1  0.47058700  0.82599500  0.88562300  1.0
  S  S15  1  0.49764800  0.41959700  0.71688100  1.0
  S  S16  1  0.02941300  0.82599500  0.38562300  1.0
  S  S17  1  0.38121900  0.13825800  0.49950300  1.0
  S  S18  1  0.00235200  0.41959700  0.21688100  1.0
  S  S19  1  0.11878100  0.13825800  0.99950300  1.0
  S  S20  1  0.99764800  0.58040300  0.78311900  1.0
  S  S21  1  0.29560500  0.87564100  0.19514300  1.0
  S  S22  1  0.88121900  0.86174200  0.00049700  1.0
  S  S23  1  0.72942100  0.52665500  0.94841700  1.0
  S  S24  1  0.61878100  0.86174200  0.50049700  1.0
  S  S25  1  0.27057900  0.47334500  0.05158300  1.0
  S  S26  1  0.79560500  0.12435900  0.30485700  1.0
  S  S27  1  0.77057900  0.52665500  0.44841700  1.0
  S  S28  1  0.50235200  0.58040300  0.28311900  1.0
  S  S29  1  0.22942100  0.47334500  0.55158300  1.0
  S  S30  1  0.52941300  0.17400500  0.11437700  1.0
  S  S31  1  0.20439500  0.87564100  0.69514300  1.0