# generated using pymatgen
data_Ba2Ni3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70732600
_cell_length_b   3.73639800
_cell_length_c   13.04578300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ni3O7
_chemical_formula_sum   'Ba2 Ni3 O7'
_cell_volume   180.71077907
_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  0.50000000  0.50000000  0.80282000  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.19718000  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.61726600  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.38273400  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1.0
  O  O5  1  0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.50000000  0.00000000  0.64120000  1.0
  O  O7  1  0.50000000  0.00000000  0.35880000  1.0
  O  O8  1  0.00000000  0.50000000  0.64273500  1.0
  O  O9  1  0.00000000  0.50000000  0.35726500  1.0
  O  O10  1  0.00000000  0.00000000  0.86158500  1.0
  O  O11  1  0.00000000  0.00000000  0.13841500  1.0