data_[Mn2H2Pd6]
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 [P1]
_cell_length_a [5.0626]
_cell_length_b [5.0741]
_cell_length_c [5.3810]
_cell_angle_alpha [97.7120]
_cell_angle_beta [98.6597]
_cell_angle_gamma [112.5312]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnHPd3]
_chemical_formula_sum '[Mn2 H2 Pd6]'
_cell_volume [123.4031]
_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  1  0.5755  0.1433  0.8987  1
  Mn  Mn1  1  0.9063  0.4825  0.8880  1
  Pd  Pd2  1  0.2899  0.3624  0.1588  1
  H  H3  1  0.3068  0.1464  0.6266  1
  Pd  Pd4  1  0.3630  0.9220  0.3779  1
  Pd  Pd5  1  0.4006  0.5467  0.6942  1
  H  H6  1  0.4043  0.7080  0.0377  1
  Pd  Pd7  1  0.8093  0.8698  0.1593  1
  Pd  Pd8  1  0.8480  0.4204  0.3994  1
  Pd  Pd9  1  0.9479  0.9690  0.6881  1
]