data_[P4H2Pd12]
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 [C2/m]
_cell_length_a [9.7077]
_cell_length_b [3.8032]
_cell_length_c [6.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P2HPd6]
_chemical_formula_sum '[P4 H2 Pd12]'
_cell_volume [248.1765]
_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  4  0.2123  0.0000  0.2437  1
  Pd  Pd1  4  0.0320  0.0000  0.7591  1
  Pd  Pd2  4  0.1433  0.5000  0.4714  1
  Pd  Pd3  4  0.1476  0.5000  0.0374  1
  H  H4  2  0.0000  0.0000  0.5000  1
]