# generated using pymatgen
data_BaLi2NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90857400
_cell_length_b   7.14629604
_cell_length_c   8.01122303
_cell_angle_alpha   90.01098696
_cell_angle_beta   89.99829779
_cell_angle_gamma   90.00070865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2NiO3
_chemical_formula_sum   'Ba4 Li8 Ni4 O12'
_cell_volume   395.51980182
_cell_formula_units_Z   4
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  0.24999500  0.65379200  0.03790400  1
  Ba  Ba1  1  0.75000900  0.15353500  0.46214900  1
  Ba  Ba2  1  0.25003200  0.84647900  0.53783600  1
  Ba  Ba3  1  0.74996900  0.34617000  0.96211200  1
  Li  Li4  1  0.03533700  0.04896600  0.14164200  1
  Li  Li5  1  0.46465600  0.04893300  0.14174200  1
  Li  Li6  1  0.96442200  0.54899100  0.35842600  1
  Li  Li7  1  0.53550100  0.54890300  0.35836400  1
  Li  Li8  1  0.03552700  0.45109600  0.64165100  1
  Li  Li9  1  0.46447500  0.45107000  0.64158600  1
  Li  Li10  1  0.53534200  0.95104000  0.85832900  1
  Li  Li11  1  0.96472000  0.95106600  0.85825800  1
  Ni  Ni12  1  0.24993400  0.31657500  0.31213500  1
  Ni  Ni13  1  0.74996100  0.68338300  0.68791200  1
  Ni  Ni14  1  0.75005600  0.81616200  0.18760000  1
  Ni  Ni15  1  0.25005900  0.18383200  0.81235000  1
  O  O16  1  0.75006100  0.99551000  0.01357600  1
  O  O17  1  0.24994700  0.49582100  0.48626700  1
  O  O18  1  0.74995400  0.50422900  0.51377600  1
  O  O19  1  0.25005000  0.00448600  0.98638400  1
  O  O20  1  0.50214100  0.81261800  0.27955600  1
  O  O21  1  0.99802500  0.81265500  0.27957200  1
  O  O22  1  0.00177800  0.31268300  0.22045300  1
  O  O23  1  0.49799000  0.31262600  0.22049500  1
  O  O24  1  0.50182900  0.68732800  0.77956200  1
  O  O25  1  0.99808800  0.68733700  0.77955400  1
  O  O26  1  0.00213100  0.18736600  0.72040300  1
  O  O27  1  0.49801100  0.18734900  0.72040500  1
