data_[K12Mn8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8270]
_cell_length_b [9.1882]
_cell_length_c [5.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3Mn2O4]
_chemical_formula_sum '[K12 Mn8 O16]'
_cell_volume [635.5355]
_cell_formula_units_Z [4]
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
[
  K  K0  8  0.1103  0.1431  0.5409  1
  K  K1  4  0.0000  0.3964  0.2500  1
  Mn  Mn2  8  0.2091  0.3845  0.9144  1
  O  O3  8  0.1338  0.1898  0.9973  1
  O  O4  8  0.1707  0.4367  0.5942  1
]