# generated using pymatgen
data_Ba2YNi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59433563
_cell_length_b   5.59351569
_cell_length_c   11.51464700
_cell_angle_alpha   90.00008835
_cell_angle_beta   89.99989225
_cell_angle_gamma   87.96817255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YNi3O7
_chemical_formula_sum   'Ba4 Y2 Ni6 O14'
_cell_volume   360.08984572
_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  0.49999900  0.00000400  0.81617300  1.0
  Ba  Ba1  1  0.99999900  0.50000400  0.81617500  1.0
  Ba  Ba2  1  0.50000400  0.00000000  0.18379200  1.0
  Ba  Ba3  1  0.00000300  0.49999900  0.18379100  1.0
  Y  Y4  1  0.49999700  0.99999600  0.49996600  1.0
  Y  Y5  1  0.99999900  0.49999900  0.49996600  1.0
  Ni  Ni6  1  0.00000200  0.00000200  0.00000900  1.0
  Ni  Ni7  1  0.99999800  0.99999800  0.65677800  1.0
  Ni  Ni8  1  0.00000100  0.00000100  0.34318600  1.0
  Ni  Ni9  1  0.50000300  0.50000400  0.00001300  1.0
  Ni  Ni10  1  0.49999700  0.49999200  0.66079500  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.33923300  1.0
  O  O12  1  0.76466800  0.76466300  0.00000400  1.0
  O  O13  1  0.23533500  0.23534300  0.00000500  1.0
  O  O14  1  0.75100600  0.24896400  0.62254500  1.0
  O  O15  1  0.24898900  0.75102700  0.62254400  1.0
  O  O16  1  0.24900600  0.75101600  0.37752300  1.0
  O  O17  1  0.75099400  0.24898400  0.37752200  1.0
  O  O18  1  0.24792000  0.24790700  0.62370700  1.0
  O  O19  1  0.75207500  0.75208500  0.62370700  1.0
  O  O20  1  0.75203800  0.75205100  0.37629000  1.0
  O  O21  1  0.24796300  0.24795100  0.37628900  1.0
  O  O22  1  0.49999600  0.50001100  0.83724200  1.0
  O  O23  1  0.99999700  0.00000900  0.83922000  1.0
  O  O24  1  0.00000900  0.99999300  0.16078100  1.0
  O  O25  1  0.50000700  0.49999700  0.16274400  1.0