data_[Np12P15Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9351]
_cell_length_b [3.9351]
_cell_length_c [45.0987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Np4P5Pd]
_chemical_formula_sum '[Np12 P15 Pd3]'
_cell_volume [604.7806]
_cell_formula_units_Z [3]
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
[
  Np  Np0  6  0.0000  0.0000  0.1087  1
  Np  Np1  6  0.0000  0.0000  0.7027  1
  P  P2  6  0.0000  0.0000  0.1923  1
  P  P3  6  0.0000  0.0000  0.4058  1
  P  P4  3  0.0000  0.0000  0.0000  1
  Pd  Pd5  3  -0.0000  -0.0000  0.5000  1
]