data_[Ni3P9N3O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.0109]
_cell_length_b [10.0109]
_cell_length_c [7.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [NiP3NO9]
_chemical_formula_sum '[Ni3 P9 N3 O27]'
_cell_volume [646.1018]
_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
[
  Ni  Ni0  3  0.0000  0.0000  0.0000  1
  P  P1  9  0.0000  0.4259  0.5000  1
  N  N2  3  0.0000  0.0000  0.5000  1
  O  O3  18  0.0882  0.9012  0.8493  1
  O  O4  9  0.0000  0.3512  0.0000  1
]