data_[Mn8Ni8H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [13.1013]
_cell_length_b [4.4528]
_cell_length_c [4.2985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Mn2Ni2H5]
_chemical_formula_sum '[Mn8 Ni8 H20]'
_cell_volume [250.7621]
_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  8  0.1341  0.5186  0.9732  1.0
  Ni  Ni1  4  0.0000  0.0000  0.9903  1.0
  Ni  Ni2  4  0.2500  0.0497  0.9768  1.0
  H  H3  8  0.0441  0.7416  0.2324  1.0
  H  H4  8  0.1264  0.1091  0.0346  1.0
  H  H5  4  0.2500  0.7369  0.2165  1.0
]