data_[P2H2Pd6]
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 [Pmc2_1]
_cell_length_a [3.0805]
_cell_length_b [6.4320]
_cell_length_c [6.6962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PHPd3]
_chemical_formula_sum '[P2 H2 Pd6]'
_cell_volume [132.6770]
_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  0.3413  0.7831  1
  Pd  Pd1  2  0.0000  0.3073  0.4267  1
  Pd  Pd2  2  0.5000  0.0627  0.7296  1
  H  H3  2  0.5000  0.2063  0.3072  1
  Pd  Pd4  2  0.5000  0.3471  0.0579  1
]