data_[K1Mg1Mn16O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.6401]
_cell_length_b [5.9010]
_cell_length_c [10.4508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KMgMn16O32]
_chemical_formula_sum '[K1 Mg1 Mn16 O32]'
_cell_volume [594.2192]
_cell_formula_units_Z [1]
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  1  0.4829  0.0000  0.5774  1
  Mg  Mg1  1  0.5305  0.0000  0.3251  1
  Mn  Mn2  2  0.1638  0.2499  0.3484  1
  Mn  Mn3  2  0.3239  0.2506  0.8595  1
  Mn  Mn4  2  0.6822  0.2539  0.1409  1
  Mn  Mn5  2  0.8389  0.2514  0.6631  1
  Mn  Mn6  1  0.1616  0.0000  0.6544  1
  Mn  Mn7  1  0.1659  0.5000  0.6519  1
  Mn  Mn8  1  0.3304  0.0000  0.1521  1
  Mn  Mn9  1  0.3562  0.5000  0.1706  1
  Mn  Mn10  1  0.6550  0.5000  0.8406  1
  Mn  Mn11  1  0.6594  0.0000  0.8445  1
  Mn  Mn12  1  0.8258  0.5000  0.3605  1
  Mn  Mn13  1  0.8385  0.0000  0.3533  1
  O  O14  2  0.0362  0.2521  0.6475  1
  O  O15  2  0.2957  0.2503  0.6695  1
  O  O16  2  0.3153  0.2502  0.0412  1
  O  O17  2  0.3702  0.2257  0.2911  1
  O  O18  2  0.6456  0.2496  0.7179  1
  O  O19  2  0.6882  0.2326  0.3331  1
  O  O20  2  0.6917  0.2540  0.9574  1
  O  O21  2  0.9621  0.2509  0.3604  1
  O  O22  1  0.1499  0.0000  0.2214  1
  O  O23  1  0.1659  0.5000  0.2266  1
  O  O24  1  0.1901  0.0000  0.4687  1
  O  O25  1  0.1909  0.5000  0.4675  1
  O  O26  1  0.1913  0.5000  0.8402  1
  O  O27  1  0.1914  0.0000  0.8416  1
  O  O28  1  0.4548  0.5000  0.8547  1
  O  O29  1  0.4560  0.0000  0.8495  1
  O  O30  1  0.5481  0.0000  0.1364  1
  O  O31  1  0.5529  0.5000  0.1399  1
  O  O32  1  0.8060  0.5000  0.5453  1
  O  O33  1  0.8066  0.0000  0.5428  1
  O  O34  1  0.8103  0.5000  0.1697  1
  O  O35  1  0.8130  0.0000  0.1622  1
  O  O36  1  0.8478  0.5000  0.7857  1
  O  O37  1  0.8499  0.0000  0.7858  1
]