data_[Nb3Fe3Ni6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1543]
_cell_length_b [5.1543]
_cell_length_c [14.0768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NbFe(NiO3)2]
_chemical_formula_sum '[Nb3 Fe3 Ni6 O18]'
_cell_volume [323.8727]
_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
[
  Nb  Nb0  3  0.0000  0.0000  0.3132  1.0
  Fe  Fe1  3  0.0000  0.0000  0.8123  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0216  1.0
  Ni  Ni3  3  0.0000  0.0000  0.5166  1.0
  O  O4  9  0.0148  0.7043  0.4160  1.0
  O  O5  9  0.0160  0.3664  0.5833  1.0
]