data_[K6Pa2Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [5.6410]
_cell_length_b [9.7988]
_cell_length_c [6.4568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pa(NiO3)2]
_chemical_formula_sum '[K6 Pa2 Ni4 O12]'
_cell_volume [342.0650]
_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
[
  K  K0  4  0.0000  0.1759  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.3335  0.0000  1
  O  O4  8  0.2285  0.1670  0.1830  1
  O  O5  4  0.2279  0.5000  0.1862  1
]