data_[Mn12H8Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4856]
_cell_length_b [2.6451]
_cell_length_c [9.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn3H2Ru]
_chemical_formula_sum '[Mn12 H8 Ru4]'
_cell_volume [200.1774]
_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  0.1126  0.5000  0.9755  1
  Mn  Mn1  4  0.1186  0.0000  0.2232  1
  Mn  Mn2  4  0.1246  0.5000  0.4793  1
  Ru  Ru3  4  0.1167  0.0000  0.7252  1
  H  H4  4  0.2362  0.0000  0.1088  1
  H  H5  4  0.2408  0.5000  0.3757  1
]