data_[K4Mn24O48]
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 [I4/m]
_cell_length_a [9.8035]
_cell_length_b [9.8035]
_cell_length_c [8.7031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [KMn6O12]
_chemical_formula_sum '[K4 Mn24 O48]'
_cell_volume [836.4330]
_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  4  0.0000  0.0000  0.2076  1
  Mn  Mn1  16  0.1510  0.3331  0.8335  1
  Mn  Mn2  8  0.1510  0.3325  0.5000  1
  O  O3  16  0.0425  0.6681  0.1672  1
  O  O4  16  0.1534  0.2007  0.3335  1
  O  O5  8  0.0428  0.6641  0.5000  1
  O  O6  8  0.1521  0.1990  0.0000  1
]