data_[Mn6H4O12]
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 [C2/m]
_cell_length_a [14.9930]
_cell_length_b [2.9522]
_cell_length_c [4.6732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn3(HO3)2]
_chemical_formula_sum '[Mn6 H4 O12]'
_cell_volume [206.8388]
_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
[
  Mn  Mn0  4  0.1443  0.5000  0.9694  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  H  H2  4  0.1795  0.0000  0.3974  1.0
  O  O3  4  0.0439  0.5000  0.2733  1.0
  O  O4  4  0.1156  0.0000  0.7131  1.0
  O  O5  4  0.2031  0.0000  0.1971  1.0
]