data_[Ba2Mn8O16]
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 [13.7519]
_cell_length_b [3.1627]
_cell_length_c [9.6697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMn4O8]
_chemical_formula_sum '[Ba2 Mn8 O16]'
_cell_volume [303.0406]
_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  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  4  0.1490  0.5000  0.4830  1.0
  Mn  Mn2  4  0.1625  0.0000  0.8160  1.0
  O  O3  4  0.0422  0.5000  0.7219  1.0
  O  O4  4  0.1538  0.0000  0.3446  1.0
  O  O5  4  0.1574  0.0000  0.6152  1.0
  O  O6  4  0.1980  0.0000  0.0514  1.0
]