# generated using pymatgen
data_BaLi2NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75532400
_cell_length_b   5.43754300
_cell_length_c   11.19042303
_cell_angle_alpha   70.78129371
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2NiO3
_chemical_formula_sum   'Ba8 Li16 Ni8 O24'
_cell_volume   790.34323857
_cell_formula_units_Z   8
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  0.89354500  0.69216700  0.57439600  1
  Ba  Ba1  1  0.69976500  0.04771200  0.67828100  1
  Ba  Ba2  1  0.19976500  0.95228800  0.82171900  1
  Ba  Ba3  1  0.39354500  0.30783300  0.92560400  1
  Ba  Ba4  1  0.60645500  0.69216700  0.07439600  1
  Ba  Ba5  1  0.80023500  0.04771200  0.17828100  1
  Ba  Ba6  1  0.30023500  0.95228800  0.32171900  1
  Ba  Ba7  1  0.10645500  0.30783300  0.42560400  1
  Li  Li8  1  0.16773000  0.74902200  0.58943800  1
  Li  Li9  1  0.49161100  0.23289200  0.51960200  1
  Li  Li10  1  0.35739900  0.77207600  0.62439800  1
  Li  Li11  1  0.56373600  0.50572700  0.68332300  1
  Li  Li12  1  0.06373600  0.49427300  0.81667700  1
  Li  Li13  1  0.85739900  0.22792400  0.87560200  1
  Li  Li14  1  0.66773000  0.25097800  0.91056200  1
  Li  Li15  1  0.00838900  0.23289200  0.01960200  1
  Li  Li16  1  0.99161100  0.76710800  0.98039800  1
  Li  Li17  1  0.33227000  0.74902200  0.08943800  1
  Li  Li18  1  0.14260100  0.77207600  0.12439800  1
  Li  Li19  1  0.93626400  0.50572700  0.18332300  1
  Li  Li20  1  0.43626400  0.49427300  0.31667700  1
  Li  Li21  1  0.64260100  0.22792400  0.37560200  1
  Li  Li22  1  0.50838900  0.76710800  0.48039800  1
  Li  Li23  1  0.83227000  0.25097800  0.41056200  1
  Ni  Ni24  1  0.30868500  0.34435900  0.58267800  1
  Ni  Ni25  1  0.97637000  0.06855900  0.71127800  1
  Ni  Ni26  1  0.47637000  0.93144100  0.78872200  1
  Ni  Ni27  1  0.80868500  0.65564100  0.91732200  1
  Ni  Ni28  1  0.19131500  0.34435900  0.08267800  1
  Ni  Ni29  1  0.52363000  0.06855900  0.21127800  1
  Ni  Ni30  1  0.02363000  0.93144100  0.28872200  1
  Ni  Ni31  1  0.69131500  0.65564100  0.41732200  1
  O  O32  1  0.60314600  0.44621500  0.52808300  1
  O  O33  1  0.26010200  0.04698700  0.55947800  1
  O  O34  1  0.26462400  0.47071500  0.71035200  1
  O  O35  1  0.88214800  0.20399200  0.58926000  1
  O  O36  1  0.49929600  0.84142600  0.64554800  1
  O  O37  1  0.05435500  0.81714300  0.68070400  1
  O  O38  1  0.76462400  0.52928500  0.78964800  1
  O  O39  1  0.55435500  0.18285700  0.81929600  1
  O  O40  1  0.99929600  0.15857400  0.85445200  1
  O  O41  1  0.38214800  0.79600800  0.91074000  1
  O  O42  1  0.89685400  0.44621500  0.02808300  1
  O  O43  1  0.76010200  0.95301300  0.94052200  1
  O  O44  1  0.23989800  0.04698700  0.05947800  1
  O  O45  1  0.10314600  0.55378500  0.97191700  1
  O  O46  1  0.61785200  0.20399200  0.08926000  1
  O  O47  1  0.00070400  0.84142600  0.14554800  1
  O  O48  1  0.44564500  0.81714300  0.18070400  1
  O  O49  1  0.23537600  0.47071500  0.21035200  1
  O  O50  1  0.94564500  0.18285700  0.31929600  1
  O  O51  1  0.50070400  0.15857400  0.35445200  1
  O  O52  1  0.11785200  0.79600800  0.41074000  1
  O  O53  1  0.73537600  0.52928500  0.28964800  1
  O  O54  1  0.73989800  0.95301300  0.44052200  1
  O  O55  1  0.39685400  0.55378500  0.47191700  1
