data_[K12Mn2O8]
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 [P6_3mc]
_cell_length_a [8.6842]
_cell_length_b [8.6842]
_cell_length_c [6.6865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [K6MnO4]
_chemical_formula_sum '[K12 Mn2 O8]'
_cell_volume [436.7102]
_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
[
  K  K0  6  0.0741  0.5370  0.8664  1
  K  K1  6  0.1438  0.2876  0.5364  1
  Mn  Mn2  2  0.3333  0.6667  0.2598  1
  O  O3  6  0.1986  0.3972  0.1554  1
  O  O4  2  0.3333  0.6667  0.5733  1
]