# generated using pymatgen
data_Ba20As13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70278541
_cell_length_b   8.70278541
_cell_length_c   43.58697226
_cell_angle_alpha   109.39786795
_cell_angle_beta   109.39786712
_cell_angle_gamma   109.55021647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba20As13
_chemical_formula_sum   'Ba40 As26'
_cell_volume   2543.39009393
_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  0.00339839  0.88092985  0.89930114  1.0
  Ba  Ba1  1  0.00689469  0.38442616  0.90069886  1.0
  Ba  Ba2  1  0.48443265  0.00976902  0.96985095  1.0
  Ba  Ba3  1  0.98795730  0.86622160  0.69673155  1.0
  Ba  Ba4  1  0.13517690  0.16051327  0.83014905  1.0
  Ba  Ba5  1  0.98862309  0.33054641  0.69421695  1.0
  Ba  Ba6  1  0.37077559  0.48425072  0.79949984  1.0
  Ba  Ba7  1  0.98746743  0.84144505  0.49853804  1.0
  Ba  Ba8  1  0.63538597  0.62473332  0.92200566  1.0
  Ba  Ba9  1  0.52535569  0.01470304  0.87799434  1.0
  Ba  Ba10  1  0.13572614  0.12328515  0.62468275  1.0
  Ba  Ba11  1  0.98675052  0.37327539  0.50050016  1.0
  Ba  Ba12  1  0.35945965  0.51753633  0.60578305  1.0
  Ba  Ba13  1  0.51563225  0.99938563  0.77026897  1.0
  Ba  Ba14  1  0.98425072  0.87077559  0.29949984  1.0
  Ba  Ba15  1  0.61046307  0.62047482  0.72395347  1.0
  Ba  Ba16  1  0.84875383  0.49477621  0.80146196  1.0
  Ba  Ba17  1  0.49986941  0.01230940  0.67531725  1.0
  Ba  Ba18  1  0.99477621  0.34875383  0.30146196  1.0
  Ba  Ba19  1  0.12473332  0.13538597  0.42200566  1.0
  Ba  Ba20  1  0.38092985  0.50339839  0.39930114  1.0
  Ba  Ba21  1  0.50070548  0.99069373  0.57604653  1.0
  Ba  Ba22  1  0.64803980  0.66428542  0.52973103  1.0
  Ba  Ba23  1  0.88256483  0.50430052  0.60326845  1.0
  Ba  Ba24  1  0.50976902  0.98443265  0.46985095  1.0
  Ba  Ba25  1  0.12047482  0.11046307  0.22395347  1.0
  Ba  Ba26  1  0.00430052  0.38256483  0.10326845  1.0
  Ba  Ba27  1  0.36622160  0.48795730  0.19673155  1.0
  Ba  Ba28  1  0.51470304  0.02535569  0.37799434  1.0
  Ba  Ba29  1  0.66051327  0.63517690  0.33014905  1.0
  Ba  Ba30  1  0.88442616  0.50689469  0.40069886  1.0
  Ba  Ba31  1  0.49938563  0.01563225  0.27026897  1.0
  Ba  Ba32  1  0.16428542  0.14803980  0.02973103  1.0
  Ba  Ba33  1  0.34144505  0.48746743  0.99853804  1.0
  Ba  Ba34  1  0.51230940  -0.00013059  0.17531725  1.0
  Ba  Ba35  1  0.62328515  0.63572614  0.12468275  1.0
  Ba  Ba36  1  0.83054641  0.48862309  0.19421695  1.0
  Ba  Ba37  1  0.49069373  0.00070548  0.07604653  1.0
  Ba  Ba38  1  0.01753633  0.85945965  0.10578305  1.0
  Ba  Ba39  1  0.87327539  0.48675052  0.00050016  1.0
  As  As40  1  0.13193312  0.75187982  0.97690189  1.0
  As  As41  1  0.24802762  0.63129489  0.87299057  1.0
  As  As42  1  0.38307275  0.26634002  0.92700943  1.0
  As  As43  1  0.24910130  0.63044131  0.67740081  1.0
  As  As44  1  0.12555777  0.74786682  0.57582009  1.0
  As  As45  1  0.61020277  0.35002862  0.84665850  1.0
  As  As46  1  0.36876537  0.24645631  0.72417991  1.0
  As  As47  1  0.74742566  0.86737236  0.82309811  1.0
  As  As48  1  0.87691029  0.11673514  0.95334150  1.0
  As  As49  1  0.25187982  0.63193312  0.47690189  1.0
  As  As50  1  0.13129489  0.74802762  0.37299057  1.0
  As  As51  1  0.74343723  0.86209722  0.62259919  1.0
  As  As52  1  0.62944977  0.37944977  0.65000000  1.0
  As  As53  1  0.88228794  0.13486805  0.75094526  1.0
  As  As54  1  0.13044131  0.74910130  0.17740081  1.0
  As  As55  1  0.76634002  0.88307275  0.42700943  1.0
  As  As56  1  0.36737236  0.24742566  0.32309811  1.0
  As  As57  1  0.61673514  0.37691029  0.45334150  1.0
  As  As58  1  0.88014074  0.12756063  0.54905474  1.0
  As  As59  1  0.24786682  0.62555777  0.07582009  1.0
  As  As60  1  0.74645631  0.86876537  0.22417991  1.0
  As  As61  1  0.36209722  0.24343723  0.12259919  1.0
  As  As62  1  0.63486805  0.38228794  0.25094526  1.0
  As  As63  1  0.85002862  0.11020277  0.34665850  1.0
  As  As64  1  0.62756063  0.38014074  0.04905474  1.0
  As  As65  1  0.87944977  0.12944977  0.15000000  1.0