data_[Mn4H4O8]
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 [Pmc2_1]
_cell_length_a [3.0544]
_cell_length_b [4.6080]
_cell_length_c [10.2552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MnHO2]
_chemical_formula_sum '[Mn4 H4 O8]'
_cell_volume [144.3391]
_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
[
  Mn  Mn0  2  0.0000  0.2864  0.6386  1.0
  Mn  Mn1  2  0.5000  0.2189  0.3511  1.0
  H  H2  2  0.0000  0.3359  0.9009  1.0
  H  H3  2  0.5000  0.1561  0.0710  1.0
  O  O4  2  0.0000  0.0180  0.7959  1.0
  O  O5  2  0.0000  0.4623  0.4369  1.0
  O  O6  2  0.5000  0.0514  0.5468  1.0
  O  O7  2  0.5000  0.4790  0.1974  1.0
]