data_[Ba4Mn6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [12.1807]
_cell_length_b [6.0092]
_cell_length_c [5.1370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Mn3O8]
_chemical_formula_sum '[Ba4 Mn6 O16]'
_cell_volume [355.8069]
_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
[
  Ba  Ba0  4  0.2206  0.5000  0.6763  1
  Mn  Mn1  4  0.0000  0.2549  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0865  0.2189  0.3792  1
  O  O4  4  0.0890  0.0000  0.8938  1
  O  O5  4  0.0977  0.5000  0.9860  1
]