# generated using pymatgen
data_Ba3YbNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99627136
_cell_length_b   6.99626964
_cell_length_c   6.99626547
_cell_angle_alpha   93.33874091
_cell_angle_beta   93.33859097
_cell_angle_gamma   93.33882693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3YbNiO6
_chemical_formula_sum   'Ba6 Yb2 Ni2 O12'
_cell_volume   340.63709303
_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  0.61229260  0.88771557  0.24999503  1.0
  Ba  Ba1  1  0.88771364  0.24999630  0.61229485  1.0
  Ba  Ba2  1  0.24999831  0.61229415  0.88771421  1.0
  Ba  Ba3  1  0.11228591  0.75000140  0.38770701  1.0
  Ba  Ba4  1  0.75000558  0.38770844  0.11228714  1.0
  Ba  Ba5  1  0.38770835  0.11228746  0.75000483  1.0
  Yb  Yb6  1  0.24999766  0.24999719  0.24999735  1.0
  Yb  Yb7  1  0.75000327  0.75000230  0.75000179  1.0
  Ni  Ni8  1  0.50000013  0.50000032  0.49999853  1.0
  Ni  Ni9  1  0.99999845  0.99999901  0.00000103  1.0
  O  O10  1  0.54181894  0.23653415  0.41219691  1.0
  O  O11  1  0.23653238  0.41219616  0.54181766  1.0
  O  O12  1  0.41220141  0.54182044  0.23653475  1.0
  O  O13  1  0.04181995  0.91220324  0.73654926  1.0
  O  O14  1  0.91220577  0.73654740  0.04182464  1.0
  O  O15  1  0.73654604  0.04182274  0.91220727  1.0
  O  O16  1  0.45818073  0.76346518  0.58780112  1.0
  O  O17  1  0.76346415  0.58780204  0.45817947  1.0
  O  O18  1  0.58780417  0.45818295  0.76346521  1.0
  O  O19  1  0.95817402  0.08779143  0.26345265  1.0
  O  O20  1  0.08779421  0.26345551  0.95817671  1.0
  O  O21  1  0.26345332  0.95817560  0.08779356  1.0