data_[Mg2Fe8Ni2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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/m]
_cell_length_a [10.3614]
_cell_length_b [6.0387]
_cell_length_c [5.9765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgFe4NiO8]
_chemical_formula_sum '[Mg2 Fe8 Ni2 O16]'
_cell_volume [307.7018]
_cell_formula_units_Z [2]
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
[
  Mg  Mg0  2  0.0000  0.5000  0.0000  1.0
  Fe  Fe1  4  0.1175  0.0000  0.8681  1.0
  Fe  Fe2  4  0.2500  0.2500  0.5000  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  O  O4  8  0.0107  0.2605  0.2600  1.0
  O  O5  4  0.2466  0.5000  0.2601  1.0
  O  O6  4  0.2491  0.5000  0.7318  1.0
]