data_[Na6Pa2Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4941]
_cell_length_b [9.5445]
_cell_length_c [5.8105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pa(NiO3)2]
_chemical_formula_sum '[Na6 Pa2 Ni4 O12]'
_cell_volume [290.1181]
_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
[
  Na  Na0  4  0.0000  0.1785  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.3336  0.0000  1
  O  O4  8  0.2384  0.1688  0.2101  1
  O  O5  4  0.2323  0.5000  0.2129  1
]