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 [P2_1/m]
_cell_length_a [4.5739]
_cell_length_b [5.6471]
_cell_length_c [4.9399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnHPd3]
_chemical_formula_sum '[Mn2 H2 Pd6]'
_cell_volume [127.5866]
_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  2  0.2430  0.7500  0.3369  1.0
  Pd  Pd1  4  0.2482  0.5024  0.8283  1.0
  Pd  Pd2  2  0.2487  0.2500  0.3403  1.0
  H  H3  2  0.4439  0.2500  0.0040  1.0
]