data_[Mn4H2O8]
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 [2.9613]
_cell_length_b [4.7487]
_cell_length_c [9.9091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mn2HO4]
_chemical_formula_sum '[Mn4 H2 O8]'
_cell_volume [139.3450]
_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  2  0.0000  0.2222  0.6382  1.0
  Mn  Mn1  2  0.5000  0.2938  0.3600  1.0
  H  H2  2  0.0000  0.2978  0.9600  1.0
  O  O3  2  0.0000  0.0934  0.2832  1.0
  O  O4  2  0.0000  0.4933  0.4580  1.0
  O  O5  2  0.5000  0.0598  0.5266  1.0
  O  O6  2  0.5000  0.4152  0.7239  1.0
]