data_[Nb4Fe4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6178]
_cell_length_b [10.5111]
_cell_length_c [4.9337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.8273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbFeO4]
_chemical_formula_sum '[Nb4 Fe4 O16]'
_cell_volume [255.7321]
_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
[
  Nb  Nb0  4  0.0000  0.1309  0.2500  1
  Fe  Fe1  4  0.0000  0.4050  0.7500  1
  O  O2  8  0.1911  0.2943  0.6692  1
  O  O3  8  0.2344  0.0398  0.7337  1
]