# generated using pymatgen
data_BaNd(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47785022
_cell_length_b   5.47785022
_cell_length_c   7.73589528
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNd(NiO3)4
_chemical_formula_sum   'Ba1 Nd1 Ni4 O12'
_cell_volume   232.12979538
_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  -0.00000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.74917386  1.0
  Ni  Ni3  1  0.00000000  0.50000000  0.25082614  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.74917386  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.25082614  1.0
  O  O6  1  0.23306154  0.23306154  0.73241043  1.0
  O  O7  1  0.23306154  0.23306154  0.26758957  1.0
  O  O8  1  0.76693846  0.76693846  0.73241043  1.0
  O  O9  1  0.76693846  0.76693846  0.26758957  1.0
  O  O10  1  0.76693846  0.23306154  0.73241043  1.0
  O  O11  1  0.76693846  0.23306154  0.26758957  1.0
  O  O12  1  0.23306154  0.76693846  0.26758957  1.0
  O  O13  1  0.23306154  0.76693846  0.73241043  1.0
  O  O14  1  0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  0.00000000  0.50000000  -0.00000000  1.0
  O  O16  1  0.50000000  0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  0.00000000  -0.00000000  1.0