data_[Ni8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1638]
_cell_length_b [4.7800]
_cell_length_c [5.4467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni2O5]
_chemical_formula_sum '[Ni8 O20]'
_cell_volume [284.9414]
_cell_formula_units_Z [4]
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
[
  Ni  Ni0  8  0.1417  0.2231  0.8010  1
  O  O1  8  0.0582  0.4769  0.5028  1
  O  O2  8  0.2117  0.0683  0.1216  1
  O  O3  4  0.0000  0.0165  0.7500  1
]