data_[K4Ba4Mn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7859]
_cell_length_b [14.0025]
_cell_length_c [12.0474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBaMnI5]
_chemical_formula_sum '[K4 Ba4 Mn4 I20]'
_cell_volume [1670.9941]
_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  0.3585  0.2500  1.0
  Ba  Ba1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.3192  0.7500  1.0
  I  I3  8  0.1408  0.2101  0.6557  1.0
  I  I4  8  0.1594  0.4353  0.9310  1.0
  I  I5  4  0.0000  0.1104  0.2500  1.0
]