data_[K4Ba8Mn4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8066]
_cell_length_b [13.7933]
_cell_length_c [13.1350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KBa2MnO4]
_chemical_formula_sum '[K4 Ba8 Mn4 O16]'
_cell_volume [689.6585]
_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  0.1226  0.7500  1
  Ba  Ba1  8  0.0000  0.3710  0.5376  1
  Mn  Mn2  4  0.0000  0.1934  0.2500  1
  O  O3  8  0.0000  0.2562  0.1226  1
  O  O4  4  0.0000  0.0000  0.0000  1
  O  O5  4  0.0000  0.3517  0.7500  1
]