# generated using pymatgen
data_BaNi9As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69899968
_cell_length_b   6.69900252
_cell_length_c   11.22472921
_cell_angle_alpha   89.99993641
_cell_angle_beta   90.00004458
_cell_angle_gamma   119.99658423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi9As5
_chemical_formula_sum   'Ba2 Ni18 As10'
_cell_volume   436.25613708
_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  0.00000076  0.00000086  -0.00000899  1.0
  Ba  Ba1  1  -0.00000013  0.00000062  0.50000914  1.0
  Ni  Ni2  1  0.53570025  0.46430015  0.10664654  1.0
  Ni  Ni3  1  0.07134425  0.53566987  0.60676046  1.0
  Ni  Ni4  1  0.46433068  0.92865558  0.60675986  1.0
  Ni  Ni5  1  0.53569410  0.07139330  0.10664675  1.0
  Ni  Ni6  1  0.92860681  0.46430582  0.10664654  1.0
  Ni  Ni7  1  0.07139048  0.53569233  0.89344255  1.0
  Ni  Ni8  1  0.46430739  0.92860970  0.89344282  1.0
  Ni  Ni9  1  0.46432517  0.53567577  0.60676083  1.0
  Ni  Ni10  1  0.46430052  0.53569742  0.89344256  1.0
  Ni  Ni11  1  0.53567675  0.46432259  0.39315091  1.0
  Ni  Ni12  1  0.92865294  0.46432857  0.39315064  1.0
  Ni  Ni13  1  0.53567015  0.07134615  0.39315116  1.0
  Ni  Ni14  1  0.20909166  0.79090945  0.24984223  1.0
  Ni  Ni15  1  0.41817101  0.20908926  0.75015670  1.0
  Ni  Ni16  1  0.79091094  0.58182853  0.75015811  1.0
  Ni  Ni17  1  0.20909686  0.41818577  0.24984291  1.0
  Ni  Ni18  1  0.58181472  0.79090353  0.24984350  1.0
  Ni  Ni19  1  0.79091623  0.20908484  0.75015794  1.0
  As  As20  1  0.82718951  0.17281030  0.24999594  1.0
  As  As21  1  0.65437331  0.82718893  0.75000523  1.0
  As  As22  1  0.17281015  0.34562591  0.75000457  1.0
  As  As23  1  0.82719272  0.65438087  0.24999292  1.0
  As  As24  1  0.34561931  0.17280741  0.24999299  1.0
  As  As25  1  0.17281284  0.82718724  0.75000442  1.0
  As  As26  1  0.33333502  0.66666623  0.06044271  1.0
  As  As27  1  0.66666651  0.33333354  0.56045126  1.0
  As  As28  1  0.66666556  0.33333354  0.93955019  1.0
  As  As29  1  0.33333356  0.66666590  0.43955661  1.0