# generated using pymatgen
data_Ba3Y4(NiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36305606
_cell_length_b   6.36305606
_cell_length_c   11.28448583
_cell_angle_alpha   73.28967864
_cell_angle_beta   73.28967864
_cell_angle_gamma   52.97034410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Y4(NiO5)3
_chemical_formula_sum   'Ba3 Y4 Ni3 O15'
_cell_volume   345.41415024
_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  0.00879942  0.00879942  0.82498155  1.0
  Ba  Ba1  1  0.99120058  0.99120058  0.17501845  1.0
  Ba  Ba2  1  -0.00000000  0.00000000  0.50000000  1.0
  Y  Y3  1  0.70863276  0.70863276  0.09937065  1.0
  Y  Y4  1  0.70906566  0.70906566  0.42593268  1.0
  Y  Y5  1  0.29136724  0.29136724  0.90062935  1.0
  Y  Y6  1  0.29093434  0.29093434  0.57406732  1.0
  Ni  Ni7  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni8  1  0.48918237  0.48918237  0.33423460  1.0
  Ni  Ni9  1  0.51081763  0.51081763  0.66576540  1.0
  O  O10  1  0.39438754  0.86627791  0.97513228  1.0
  O  O11  1  0.40717710  0.83839606  0.28921205  1.0
  O  O12  1  0.40522779  0.87365848  0.60609458  1.0
  O  O13  1  0.60561246  0.13372209  0.02486772  1.0
  O  O14  1  0.59477221  0.12634152  0.39390542  1.0
  O  O15  1  0.59282290  0.16160394  0.71078795  1.0
  O  O16  1  0.13372209  0.60561246  0.02486772  1.0
  O  O17  1  0.12634152  0.59477221  0.39390542  1.0
  O  O18  1  0.16160394  0.59282290  0.71078795  1.0
  O  O19  1  0.86627791  0.39438754  0.97513228  1.0
  O  O20  1  0.83839606  0.40717710  0.28921205  1.0
  O  O21  1  0.87365848  0.40522779  0.60609458  1.0
  O  O22  1  0.50135444  0.50135444  0.83313536  1.0
  O  O23  1  0.49864556  0.49864556  0.16686464  1.0
  O  O24  1  0.50000000  0.50000000  0.50000000  1.0