data_[Mn1H2O2]
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 [P1]
_cell_length_a [3.3701]
_cell_length_b [3.3749]
_cell_length_c [5.0051]
_cell_angle_alpha [82.3822]
_cell_angle_beta [87.9453]
_cell_angle_gamma [60.0915]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn(HO)2]
_chemical_formula_sum '[Mn1 H2 O2]'
_cell_volume [48.8804]
_cell_formula_units_Z [1]
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  1  0.9484  0.0059  0.0231  1.0
  H  H1  1  0.1551  0.4493  0.6160  1.0
  H  H2  1  0.5698  0.5813  0.4310  1.0
  O  O3  1  0.2634  0.4060  0.8011  1.0
  O  O4  1  0.6247  0.6200  0.2392  1.0
]