data_[Ni4O16]
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 [Cc]
_cell_length_a [11.2088]
_cell_length_b [3.5445]
_cell_length_c [6.5684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NiO4]
_chemical_formula_sum '[Ni4 O16]'
_cell_volume [240.0230]
_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  4  0.4016  0.2986  0.7648  1
  O  O1  4  0.0335  0.4662  0.9703  1
  O  O2  4  0.2674  0.2315  0.8850  1
  O  O3  4  0.3158  0.2133  0.1049  1
  O  O4  4  0.4839  0.3474  0.5257  1
]