data_[P18Pd42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0642]
_cell_length_b [12.0642]
_cell_length_c [7.1795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [P3Pd7]
_chemical_formula_sum '[P18 Pd42]'
_cell_volume [904.9422]
_cell_formula_units_Z [6]
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  18  0.0090  0.8163  0.2164  1.0
  Pd  Pd1  18  0.0301  0.7942  0.8812  1.0
  Pd  Pd2  18  0.0724  0.4972  0.1518  1.0
  Pd  Pd3  6  0.0000  0.0000  0.3023  1.0
]