# generated using pymatgen
data_Ti24BePS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83572378
_cell_length_b   9.87117758
_cell_length_c   4.94619144
_cell_angle_alpha   90.17567592
_cell_angle_beta   90.09862205
_cell_angle_gamma   90.01011461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti24BePS6
_chemical_formula_sum   'Ti24 Be1 P1 S6'
_cell_volume   480.22362150
_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
  Ti  Ti0  1  0.97101737  0.86114832  0.28167162  1.0
  Ti  Ti1  1  0.36056878  0.53087094  0.78473832  1.0
  Ti  Ti2  1  0.63905519  0.47304742  0.77880494  1.0
  Ti  Ti3  1  0.02979200  0.13845623  0.28468112  1.0
  Ti  Ti4  1  0.52818802  0.63734793  0.21656502  1.0
  Ti  Ti5  1  0.14000724  0.97252145  0.72101358  1.0
  Ti  Ti6  1  0.86106708  0.02791742  0.71639814  1.0
  Ti  Ti7  1  0.47002558  0.35801855  0.21910706  1.0
  Ti  Ti8  1  0.81763923  0.28345106  0.01240797  1.0
  Ti  Ti9  1  0.78380857  0.68015596  0.51181258  1.0
  Ti  Ti10  1  0.21490431  0.32077551  0.51988714  1.0
  Ti  Ti11  1  0.18123245  0.71465072  0.01510872  1.0
  Ti  Ti12  1  0.68301254  0.21613052  0.48905866  1.0
  Ti  Ti13  1  0.71542958  0.81962008  0.98346814  1.0
  Ti  Ti14  1  0.28694759  0.17899384  0.98377240  1.0
  Ti  Ti15  1  0.31873670  0.78334222  0.48381244  1.0
  Ti  Ti16  1  0.91575182  0.39403566  0.54141825  1.0
  Ti  Ti17  1  0.89297804  0.58339793  0.03675882  1.0
  Ti  Ti18  1  0.10769262  0.41540579  0.03746714  1.0
  Ti  Ti19  1  0.08438162  0.60576558  0.54182836  1.0
  Ti  Ti20  1  0.58392264  0.10583719  0.94913667  1.0
  Ti  Ti21  1  0.60634625  0.91591850  0.46036299  1.0
  Ti  Ti22  1  0.39451007  0.08704188  0.46976917  1.0
  Ti  Ti23  1  0.41490467  0.89276191  0.95807537  1.0
  Be  Be24  1  0.45910996  0.29905852  0.71011763  1.0
  P  P25  1  0.96006908  0.79337370  0.78682405  1.0
  S  S26  1  0.79222939  0.03998972  0.21110843  1.0
  S  S27  1  0.20867284  0.96002900  0.21508225  1.0
  S  S28  1  0.53964470  0.70795349  0.70912054  1.0
  S  S29  1  0.03915158  0.20741981  0.79027461  1.0
  S  S30  1  0.70662557  0.45711036  0.28939161  1.0
  S  S31  1  0.29257595  0.53845378  0.29095229  1.0