data_[Mn4H8O8]
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 [Cm]
_cell_length_a [6.4087]
_cell_length_b [9.9936]
_cell_length_c [3.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn(HO)2]
_chemical_formula_sum '[Mn4 H8 O8]'
_cell_volume [182.4794]
_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  4  0.0038  0.1520  0.0227  1.0
  H  H1  4  0.4832  0.1432  0.5035  1.0
  H  H2  2  0.1758  0.5000  0.0405  1.0
  H  H3  2  0.2912  0.0000  0.8183  1.0
  O  O4  4  0.3790  0.2240  0.3993  1.0
  O  O5  2  0.1159  0.0000  0.6469  1.0
  O  O6  2  0.1944  0.5000  0.7625  1.0
]