data_[Pa8Ni8O8]
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 [C2/m]
_cell_length_a [15.1500]
_cell_length_b [3.2618]
_cell_length_c [7.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaNiO]
_chemical_formula_sum '[Pa8 Ni8 O8]'
_cell_volume [365.2610]
_cell_formula_units_Z [8]
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  4  0.1058  0.5000  0.1344  1
  Pa  Pa1  4  0.1092  0.5000  0.5958  1
  Ni  Ni2  4  0.2463  0.0000  0.1239  1
  Ni  Ni3  4  0.2485  0.0000  0.6272  1
  O  O4  4  0.0480  0.5000  0.8587  1
  O  O5  4  0.0634  0.0000  0.3685  1
]