data_[Ba2Pr6Ni4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4872]
_cell_length_b [5.4477]
_cell_length_c [12.8175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaPr3(NiO4)2]
_chemical_formula_sum '[Ba2 Pr6 Ni4 O16]'
_cell_volume [383.1469]
_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  2  0.5000  0.0000  0.8547  1.0
  Pr  Pr1  2  0.0000  0.0000  0.3635  1.0
  Pr  Pr2  2  0.0000  0.0000  0.6387  1.0
  Pr  Pr3  2  0.5000  0.0000  0.1354  1.0
  Ni  Ni4  2  0.0000  0.0000  0.9972  1.0
  Ni  Ni5  2  0.5000  0.0000  0.4973  1.0
  O  O6  8  0.2371  0.2481  0.5070  1.0
  O  O7  2  0.0000  0.0000  0.1811  1.0
  O  O8  2  0.0000  0.0000  0.8243  1.0
  O  O9  2  0.5000  0.0000  0.3227  1.0
  O  O10  2  0.5000  0.0000  0.6572  1.0
]