data_[Mn4H12Pd20]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0199]
_cell_length_b [6.7176]
_cell_length_c [7.4532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnH3Pd5]
_chemical_formula_sum '[Mn4 H12 Pd20]'
_cell_volume [401.9307]
_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  0.1019  0.0000  0.3082  1.0
  Pd  Pd1  8  0.1634  0.2078  0.6654  1.0
  Pd  Pd2  4  0.0000  0.2859  0.0000  1.0
  Pd  Pd3  4  0.0773  0.5000  0.3640  1.0
  H  H4  4  0.1441  0.5000  0.6782  1.0
  H  H5  4  0.1707  0.5000  0.1744  1.0
  Pd  Pd6  4  0.2341  0.0000  0.0262  1.0
  H  H7  2  0.0000  0.0000  0.0000  1.0
  H  H8  2  0.0000  0.0000  0.5000  1.0
]