data_[Mg3Fe12Ni3O24]
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 [R3m]
_cell_length_a [6.0347]
_cell_length_b [6.0347]
_cell_length_c [14.7268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgFe4NiO8]
_chemical_formula_sum '[Mg3 Fe12 Ni3 O24]'
_cell_volume [464.4642]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.8763  1.0
  Fe  Fe1  9  0.1699  0.3398  0.3320  1.0
  Fe  Fe2  3  0.0000  0.0000  0.1233  1.0
  Ni  Ni3  3  0.0000  0.0000  0.5013  1.0
  O  O4  9  0.0225  0.5112  0.2558  1.0
  O  O5  9  0.1743  0.8257  0.0793  1.0
  O  O6  3  0.0000  0.0000  0.2572  1.0
  O  O7  3  0.0000  0.0000  0.7408  1.0
]