data_[Pa3Ni9O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R3]
_cell_length_a [5.2720]
_cell_length_b [5.2720]
_cell_length_c [14.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pa(NiO2)3]
_chemical_formula_sum '[Pa3 Ni9 O18]'
_cell_volume [341.7579]
_cell_formula_units_Z [3]
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
[
  Pa  Pa0  3  0.0000  0.0000  0.1441  1
  Ni  Ni1  3  0.0000  0.0000  0.3480  1
  Ni  Ni2  3  0.0000  0.0000  0.6509  1
  Ni  Ni3  3  0.0000  0.0000  0.8509  1
  O  O4  9  0.0321  0.6756  0.9185  1
  O  O5  9  0.0540  0.3562  0.4169  1
]