# generated using pymatgen
data_Zr21S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53729238
_cell_length_b   12.83368106
_cell_length_c   12.83305852
_cell_angle_alpha   88.91372943
_cell_angle_beta   82.07830814
_cell_angle_gamma   82.07869487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr21S8
_chemical_formula_sum   'Zr21 S8'
_cell_volume   571.51067499
_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
  Zr  Zr0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Zr  Zr1  1  0.54795546  0.53558548  0.36850360  1.0
  Zr  Zr2  1  0.45204454  0.46441452  0.63149640  1.0
  Zr  Zr3  1  0.08353556  0.36850272  0.46442516  1.0
  Zr  Zr4  1  0.91646344  0.63149728  0.53557484  1.0
  Zr  Zr5  1  0.96630304  0.30736739  0.76002652  1.0
  Zr  Zr6  1  0.03369696  0.69263261  0.23997348  1.0
  Zr  Zr7  1  0.27365309  0.76004885  0.69264596  1.0
  Zr  Zr8  1  0.72634691  0.23995115  0.30735404  1.0
  Zr  Zr9  1  0.80853766  0.58749820  0.79542647  1.0
  Zr  Zr10  1  0.19146234  0.41250180  0.20457353  1.0
  Zr  Zr11  1  0.39603420  0.79543008  0.41250152  1.0
  Zr  Zr12  1  0.60396580  0.20456992  0.58749848  1.0
  Zr  Zr13  1  0.80026510  0.39446674  0.00500207  1.0
  Zr  Zr14  1  0.19973490  0.60553326  0.99499793  1.0
  Zr  Zr15  1  0.19474854  0.00496995  0.60553298  1.0
  Zr  Zr16  1  0.80525146  0.99503005  0.39446702  1.0
  Zr  Zr17  1  0.63548401  0.81921533  0.90981766  1.0
  Zr  Zr18  1  0.36451599  0.18078467  0.09018234  1.0
  Zr  Zr19  1  0.45467566  0.90982305  0.18082464  1.0
  Zr  Zr20  1  0.54532434  0.09017695  0.81917536  1.0
  S  S21  1  0.93279727  0.20000742  0.93439804  1.0
  S  S22  1  0.06720273  0.79999258  0.06560196  1.0
  S  S23  1  0.13280217  0.93443558  0.79995908  1.0
  S  S24  1  0.86719783  0.06556442  0.20004092  1.0
  S  S25  1  0.64616353  0.55862946  0.14904249  1.0
  S  S26  1  0.35383647  0.44137054  0.85095751  1.0
  S  S27  1  0.20480173  0.14902701  0.44136953  1.0
  S  S28  1  0.79519827  0.85097299  0.55863047  1.0