# generated using pymatgen
data_Er20Si12S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29253438
_cell_length_b   8.36552994
_cell_length_c   14.48600202
_cell_angle_alpha   90.00000679
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.98069411
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er20Si12S
_chemical_formula_sum   'Er20 Si12 S1'
_cell_volume   762.54867611
_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
  Er  Er0  1  0.50000021  0.00000083  0.33280864  1.0
  Er  Er1  1  0.50000120  0.49999985  0.83265819  1.0
  Er  Er2  1  0.50000120  0.49999985  0.16734181  1.0
  Er  Er3  1  0.50000021  0.00000083  0.66719136  1.0
  Er  Er4  1  0.99999977  0.50000057  0.16864125  1.0
  Er  Er5  1  0.00000054  0.99999909  0.66359505  1.0
  Er  Er6  1  0.00000054  0.99999909  0.33640495  1.0
  Er  Er7  1  0.99999977  0.50000057  0.83135875  1.0
  Er  Er8  1  0.75966594  0.24958990  0.00000000  1.0
  Er  Er9  1  0.74669121  0.74228866  0.50000000  1.0
  Er  Er10  1  0.75148552  0.37874742  0.37953178  1.0
  Er  Er11  1  0.75810605  0.87517497  0.87465884  1.0
  Er  Er12  1  0.75810605  0.87517497  0.12534116  1.0
  Er  Er13  1  0.75148552  0.37874742  0.62046822  1.0
  Er  Er14  1  0.24033740  0.75041464  1.00000000  1.0
  Er  Er15  1  0.25330844  0.25770912  0.50000000  1.0
  Er  Er16  1  0.24189376  0.12482514  0.12533973  1.0
  Er  Er17  1  0.24851484  0.62125124  0.62046853  1.0
  Er  Er18  1  0.24851484  0.62125124  0.37953147  1.0
  Er  Er19  1  0.24189376  0.12482514  0.87466027  1.0
  Si  Si20  1  0.75470600  0.60586006  0.00000000  1.0
  Si  Si21  1  0.74625882  0.10646817  0.50000000  1.0
  Si  Si22  1  0.75549465  0.19763575  0.19868641  1.0
  Si  Si23  1  0.75110522  0.69622731  0.69544476  1.0
  Si  Si24  1  0.75110522  0.69622731  0.30455524  1.0
  Si  Si25  1  0.75549465  0.19763575  0.80131359  1.0
  Si  Si26  1  0.24529302  0.39414247  1.00000000  1.0
  Si  Si27  1  0.25373805  0.89352977  0.50000000  1.0
  Si  Si28  1  0.24889363  0.30377186  0.30455503  1.0
  Si  Si29  1  0.24450816  0.80236488  0.80131366  1.0
  Si  Si30  1  0.24450816  0.80236488  0.19868634  1.0
  Si  Si31  1  0.24889363  0.30377186  0.69544497  1.0
  S  S32  1  0.49999903  0.00000137  0.00000000  1.0