data_[P2H4Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.1949]
_cell_length_b [13.4119]
_cell_length_c [4.7580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PH2Pd5]
_chemical_formula_sum '[P2 H4 Pd10]'
_cell_volume [203.8732]
_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
[
  P  P0  2  0.0000  0.5000  0.9751  1
  Pd  Pd1  4  0.0000  0.1194  0.8732  1
  H  H2  4  0.0000  0.1919  0.5326  1
  Pd  Pd3  4  0.0000  0.3251  0.6475  1
  Pd  Pd4  2  0.0000  0.0000  0.3843  1
]