# generated using pymatgen
data_Ba2Li(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68364800
_cell_length_b   5.68364752
_cell_length_c   5.20671900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Li(NiO3)2
_chemical_formula_sum   'Ba2 Li1 Ni2 O6'
_cell_volume   145.66293938
_cell_formula_units_Z   1
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  0.66666700  0.33333400  0.76679500  1
  Ba  Ba1  1  0.33333300  0.66666600  0.26030800  1
  Li  Li2  1  0.66666700  0.33333300  0.26575200  1
  Ni  Ni3  1  0.00000000  0.00000000  0.48776500  1
  Ni  Ni4  1  0.00000000  0.00000000  0.98516900  1
  O  O5  1  0.84689500  0.15310500  0.23543800  1
  O  O6  1  0.70039100  0.85019600  0.73689200  1
  O  O7  1  0.14980500  0.29960900  0.73689200  1
  O  O8  1  0.84689400  0.69379000  0.23543800  1
  O  O9  1  0.14980500  0.85019600  0.73689200  1
  O  O10  1  0.30620800  0.15310500  0.23543800  1
