# generated using pymatgen
data_Cs(Nb3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40341947
_cell_length_b   10.40341931
_cell_length_c   9.83536402
_cell_angle_alpha   61.72640271
_cell_angle_beta   61.72640492
_cell_angle_gamma   37.78028193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs(Nb3S4)4
_chemical_formula_sum   'Cs1 Nb12 S16'
_cell_volume   564.53089122
_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
  Cs  Cs0  1  0.37477260  0.37477260  0.99988759  1.0
  Nb  Nb1  1  0.92956924  0.92956924  0.51478392  1.0
  Nb  Nb2  1  0.42959215  0.42959215  0.51688147  1.0
  Nb  Nb3  1  0.13192768  0.13192768  0.37627127  1.0
  Nb  Nb4  1  0.63399074  0.63399074  0.37211926  1.0
  Nb  Nb5  1  0.06116138  0.06116138  0.10936215  1.0
  Nb  Nb6  1  0.56347010  0.56347010  0.10907583  1.0
  Nb  Nb7  1  0.07037753  0.57072746  0.48729672  1.0
  Nb  Nb8  1  0.57072746  0.07037753  0.48729672  1.0
  Nb  Nb9  1  0.87088498  0.36630743  0.62260298  1.0
  Nb  Nb10  1  0.36630743  0.87088498  0.62260298  1.0
  Nb  Nb11  1  0.93444735  0.43763349  0.89088916  1.0
  Nb  Nb12  1  0.43763349  0.93444735  0.89088916  1.0
  S  S13  1  0.52264300  0.52264300  0.64174366  1.0
  S  S14  1  0.01948759  0.01948759  0.65064124  1.0
  S  S15  1  0.70079108  0.70079108  0.05936985  1.0
  S  S16  1  0.19582162  0.19582162  0.06359111  1.0
  S  S17  1  0.40659750  0.40659750  0.29371402  1.0
  S  S18  1  0.90442810  0.90442810  0.28997666  1.0
  S  S19  1  0.48085600  0.98155370  0.34919210  1.0
  S  S20  1  0.98155370  0.48085600  0.34919210  1.0
  S  S21  1  0.29955207  0.79912261  0.93864173  1.0
  S  S22  1  0.79912261  0.29955207  0.93864173  1.0
  S  S23  1  0.59583356  0.09341725  0.71267029  1.0
  S  S24  1  0.09341725  0.59583356  0.71267029  1.0
  S  S25  1  0.70815901  0.70815901  0.66654850  1.0
  S  S26  1  0.20843763  0.20843763  0.66744253  1.0
  S  S27  1  0.29158728  0.79184890  0.33300248  1.0
  S  S28  1  0.79184890  0.29158728  0.33300248  1.0