data_[As4P2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5970]
_cell_length_b [4.1638]
_cell_length_c [5.9839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2PPd8]
_chemical_formula_sum '[As4 P2 Pd16]'
_cell_volume [340.6820]
_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
[
  As  As0  4  0.1764  0.0000  0.6858  1.0
  P  P1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0306  0.0000  0.8074  1.0
  Pd  Pd3  4  0.0877  0.5000  0.4309  1.0
  Pd  Pd4  4  0.1653  0.5000  0.9617  1.0
  Pd  Pd5  4  0.2005  0.0000  0.3034  1.0
]