data_[Mn24H12O48]
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 [Cc]
_cell_length_a [9.1416]
_cell_length_b [6.0180]
_cell_length_c [14.5650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Mn2HO4]
_chemical_formula_sum '[Mn24 H12 O48]'
_cell_volume [801.0986]
_cell_formula_units_Z [12]
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  0.1205  0.3746  0.9990  1
  Mn  Mn1  4  0.1254  0.1273  0.4980  1
  Mn  Mn2  4  0.3623  0.1264  0.8497  1
  Mn  Mn3  4  0.3750  0.3759  0.3435  1
  Mn  Mn4  4  0.3819  0.1268  0.1505  1
  Mn  Mn5  4  0.3835  0.3799  0.6498  1
  H  H6  4  0.0898  0.3999  0.8043  1
  H  H7  4  0.0899  0.1460  0.3114  1
  H  H8  4  0.1637  0.8746  0.1865  1
  O  O9  4  0.0085  0.1298  0.6125  1
  O  O10  4  0.0089  0.1228  0.9479  1
  O  O11  4  0.0127  0.3754  0.4481  1
  O  O12  4  0.2317  0.3788  0.5491  1
  O  O13  4  0.2362  0.1271  0.0515  1
  O  O14  4  0.2417  0.3722  0.8859  1
  O  O15  4  0.2463  0.1251  0.3854  1
  O  O16  4  0.2671  0.8766  0.2114  1
  O  O17  4  0.2878  0.3751  0.2169  1
  O  O18  4  0.4844  0.1072  0.2840  1
  O  O19  4  0.4853  0.3614  0.7893  1
  O  O20  4  0.4912  0.1247  0.6066  1
]