data_[Mn16Ni8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.3522]
_cell_length_b [9.4516]
_cell_length_c [8.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Mn2NiO4]
_chemical_formula_sum '[Mn16 Ni8 O32]'
_cell_volume [635.7517]
_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
[
  Mn  Mn0  16  0.1212  0.3744  0.7508  1.0
  Ni  Ni1  8  0.0000  0.0000  0.8675  1.0
  O  O2  16  0.1061  0.3837  0.9949  1.0
  O  O3  16  0.1139  0.1213  0.2584  1.0
]