data_[Mn8H8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.1697]
_cell_length_b [11.1697]
_cell_length_c [2.9583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [MnHO2]
_chemical_formula_sum '[Mn8 H8 O16]'
_cell_volume [369.0858]
_cell_formula_units_Z [8]
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
[
  Mn  Mn0  8  0.1449  0.6514  0.5000  1.0
  H  H1  8  0.0793  0.8288  0.0000  1.0
  O  O2  8  0.0435  0.3282  0.5000  1.0
  O  O3  8  0.1505  0.7783  0.0000  1.0
]