# generated using pymatgen
data_Ba11Bi10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.40581292
_cell_length_b   13.40578025
_cell_length_c   13.74724772
_cell_angle_alpha   119.18285950
_cell_angle_beta   119.18289531
_cell_angle_gamma   89.99910488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba11Bi10
_chemical_formula_sum   'Ba22 Bi20'
_cell_volume   1789.26518700
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.44222717  0.19133171  0.38258820  1.0
  Ba  Ba1  1  0.19132540  0.44222424  0.38258765  1.0
  Ba  Ba2  1  0.19133047  0.94034513  0.38258142  1.0
  Ba  Ba3  1  0.05966349  0.80867900  0.61742837  1.0
  Ba  Ba4  1  0.55777368  0.80868282  0.61742000  1.0
  Ba  Ba5  1  0.80867387  0.05965950  0.61742786  1.0
  Ba  Ba6  1  0.80867289  0.55777190  0.61741014  1.0
  Ba  Ba7  1  0.94033908  0.19133046  0.38257171  1.0
  Ba  Ba8  1  0.34689820  0.34689237  0.69374564  1.0
  Ba  Ba9  1  0.65310103  0.65309550  0.30624556  1.0
  Ba  Ba10  1  0.60465904  0.27500274  0.20933835  1.0
  Ba  Ba11  1  0.93430641  0.60468638  0.20938053  1.0
  Ba  Ba12  1  0.27500357  0.60465983  0.20934507  1.0
  Ba  Ba13  1  0.39534204  0.72499962  0.79065635  1.0
  Ba  Ba14  1  0.39531916  0.06569825  0.79062626  1.0
  Ba  Ba15  1  0.06569116  0.39530974  0.79061533  1.0
  Ba  Ba16  1  0.72499471  0.39534221  0.79066057  1.0
  Ba  Ba17  1  0.60469187  0.93431621  0.20938408  1.0
  Ba  Ba18  1  0.16789020  0.16789117  -0.00004526  1.0
  Ba  Ba19  1  0.83212589  0.16788053  0.00000501  1.0
  Ba  Ba20  1  0.16786817  0.83213605  0.00000384  1.0
  Ba  Ba21  1  0.83211970  0.83212057  0.00005793  1.0
  Bi  Bi22  1  0.74999600  0.25000729  0.50000293  1.0
  Bi  Bi23  1  0.25000515  0.74999391  0.49999928  1.0
  Bi  Bi24  1  0.11717962  0.11718200  0.23432728  1.0
  Bi  Bi25  1  0.88282420  0.88282739  0.76568372  1.0
  Bi  Bi26  1  0.53006923  0.53006848  0.63852078  1.0
  Bi  Bi27  1  0.10843834  0.53007307  0.63852122  1.0
  Bi  Bi28  1  0.53008037  0.10843993  0.63853295  1.0
  Bi  Bi29  1  0.89155897  0.46990488  0.36145888  1.0
  Bi  Bi30  1  0.46991532  0.89156319  0.36147079  1.0
  Bi  Bi31  1  0.89155088  0.89154926  0.36148165  1.0
  Bi  Bi32  1  0.46992341  0.46992237  0.36147347  1.0
  Bi  Bi33  1  0.10845393  0.10844814  0.63851875  1.0
  Bi  Bi34  1  0.36019976  -0.00002003  -0.00001836  1.0
  Bi  Bi35  1  0.99997985  0.36020369  -0.00001959  1.0
  Bi  Bi36  1  0.00001856  0.63979505  0.00001818  1.0
  Bi  Bi37  1  0.63979801  0.00001680  0.00001311  1.0
  Bi  Bi38  1  0.61899704  0.61899977  0.00000007  1.0
  Bi  Bi39  1  0.38099044  0.61900682  0.99999536  1.0
  Bi  Bi40  1  0.61901939  0.38097770  0.99999556  1.0
  Bi  Bi41  1  0.38098331  0.38097938  -0.00000863  1.0