# generated using pymatgen
data_CsPa3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94042607
_cell_length_b   11.61066221
_cell_length_c   21.84289572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPa3S5
_chemical_formula_sum   'Cs4 Pa12 S20'
_cell_volume   999.33336156
_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
  Cs  Cs0  1  0.25000000  0.98837385  0.27917490  1.0
  Cs  Cs1  1  0.75000000  0.48837385  0.22082510  1.0
  Cs  Cs2  1  0.75000000  0.01162615  0.72082510  1.0
  Cs  Cs3  1  0.25000000  0.51162615  0.77917490  1.0
  Pa  Pa4  1  0.75000000  0.80100109  0.10311616  1.0
  Pa  Pa5  1  0.25000000  0.41667849  0.55874841  1.0
  Pa  Pa6  1  0.25000000  0.19899891  0.89688384  1.0
  Pa  Pa7  1  0.75000000  0.58332151  0.44125159  1.0
  Pa  Pa8  1  0.25000000  0.08332151  0.05874841  1.0
  Pa  Pa9  1  0.25000000  0.64161525  0.97799278  1.0
  Pa  Pa10  1  0.25000000  0.30100109  0.39688384  1.0
  Pa  Pa11  1  0.25000000  0.85838475  0.47799278  1.0
  Pa  Pa12  1  0.75000000  0.91667849  0.94125159  1.0
  Pa  Pa13  1  0.75000000  0.69899891  0.60311616  1.0
  Pa  Pa14  1  0.75000000  0.35838475  0.02200722  1.0
  Pa  Pa15  1  0.75000000  0.14161525  0.52200722  1.0
  S  S16  1  0.25000000  0.75394924  0.68109941  1.0
  S  S17  1  0.75000000  0.14062326  0.97814034  1.0
  S  S18  1  0.25000000  0.30381890  0.10456876  1.0
  S  S19  1  0.75000000  0.57992223  0.06281348  1.0
  S  S20  1  0.25000000  0.07992223  0.43718652  1.0
  S  S21  1  0.75000000  0.92007777  0.56281348  1.0
  S  S22  1  0.25000000  0.42007777  0.93718652  1.0
  S  S23  1  0.25000000  0.85937674  0.02185966  1.0
  S  S24  1  0.75000000  0.35937674  0.47814034  1.0
  S  S25  1  0.75000000  0.25394924  0.81890059  1.0
  S  S26  1  0.25000000  0.52528049  0.35859746  1.0
  S  S27  1  0.25000000  0.97471951  0.85859746  1.0
  S  S28  1  0.75000000  0.80381890  0.39543124  1.0
  S  S29  1  0.75000000  0.47471951  0.64140254  1.0
  S  S30  1  0.25000000  0.19618110  0.60456876  1.0
  S  S31  1  0.25000000  0.74605076  0.18109941  1.0
  S  S32  1  0.75000000  0.02528049  0.14140254  1.0
  S  S33  1  0.75000000  0.24605076  0.31890059  1.0
  S  S34  1  0.75000000  0.69618110  0.89543124  1.0
  S  S35  1  0.25000000  0.64062326  0.52185966  1.0