data_[Mn9O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.9062]
_cell_length_b [11.9062]
_cell_length_c [16.7798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Mn3O4]
_chemical_formula_sum '[Mn9 O12]'
_cell_volume [2059.9813]
_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
[
  Mn  Mn0  6  0.1785  0.5492  0.4856  1
  Mn  Mn1  3  0.0000  0.6456  0.5284  1
  O  O2  6  0.1855  0.7195  0.5144  1
  O  O3  3  0.0000  0.4633  0.5121  1
  O  O4  2  0.3333  0.6667  0.4242  1
  O  O5  1  0.0000  0.0000  0.5303  1
]