data_[P4H4Pd4]
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 [Cm]
_cell_length_a [5.9361]
_cell_length_b [5.5952]
_cell_length_c [5.3136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PHPd]
_chemical_formula_sum '[P4 H4 Pd4]'
_cell_volume [174.0399]
_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
[
  P  P0  2  0.1435  0.5000  0.0493  1
  P  P1  2  0.4676  0.0000  0.6613  1
  Pd  Pd2  4  0.1833  0.7508  0.4148  1
  H  H3  2  0.1576  0.0000  0.2168  1
  H  H4  2  0.3579  0.5000  0.9639  1
]