data_[Fe8Ni8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [6.1043]
_cell_length_b [12.0370]
_cell_length_c [5.3102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeNiO2]
_chemical_formula_sum '[Fe8 Ni8 O16]'
_cell_volume [320.3567]
_cell_formula_units_Z [8]
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
[
  Fe  Fe0  4  0.0000  0.3118  0.2500  1
  Fe  Fe1  4  0.0000  0.4367  0.7500  1
  Ni  Ni2  4  0.0000  0.0621  0.2500  1
  Ni  Ni3  4  0.0000  0.1870  0.7500  1
  O  O4  8  0.2382  0.0625  0.7357  1
  O  O5  8  0.2427  0.8125  0.7353  1
]