# generated using pymatgen
data_Ba3Y5(NiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62655018
_cell_length_b   6.62655018
_cell_length_c   11.32310321
_cell_angle_alpha   73.30696778
_cell_angle_beta   73.30696778
_cell_angle_gamma   51.94106752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Y5(NiO5)3
_chemical_formula_sum   'Ba3 Y5 Ni3 O15'
_cell_volume   370.97164947
_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  0.00200900  0.00200900  0.00031000  1.0
  Ba  Ba1  1  0.99351100  0.99351100  0.33711400  1.0
  Ba  Ba2  1  0.01036000  0.01036000  0.65791400  1.0
  Y  Y3  1  0.70570700  0.70570700  0.26244600  1.0
  Y  Y4  1  0.71035100  0.71035100  0.59672400  1.0
  Y  Y5  1  0.70681500  0.70681500  0.93393100  1.0
  Y  Y6  1  0.29464400  0.29464400  0.07004900  1.0
  Y  Y7  1  0.29729500  0.29729500  0.73415700  1.0
  Ni  Ni8  1  0.48592500  0.48592500  0.17467600  1.0
  Ni  Ni9  1  0.50089800  0.50089800  0.83364300  1.0
  Ni  Ni10  1  0.49213600  0.49213600  0.50122700  1.0
  O  O11  1  0.41224900  0.83925600  0.45640300  1.0
  O  O12  1  0.83925600  0.41224900  0.45640300  1.0
  O  O13  1  0.40926500  0.88393700  0.11807400  1.0
  O  O14  1  0.41485100  0.88248800  0.78323000  1.0
  O  O15  1  0.61075200  0.10843800  0.19553400  1.0
  O  O16  1  0.60769900  0.11592300  0.56311900  1.0
  O  O17  1  0.58923400  0.11837100  0.88312300  1.0
  O  O18  1  0.10843800  0.61075200  0.19553400  1.0
  O  O19  1  0.11592300  0.60769900  0.56311900  1.0
  O  O20  1  0.11837100  0.58923400  0.88312300  1.0
  O  O21  1  0.88393700  0.40926500  0.11807400  1.0
  O  O22  1  0.88248800  0.41485100  0.78323000  1.0
  O  O23  1  0.50329400  0.50329400  0.00045800  1.0
  O  O24  1  0.50422500  0.50422500  0.33207600  1.0
  O  O25  1  0.50371200  0.50371200  0.66520100  1.0