data_[Zr16Np32P48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.7678]
_cell_length_b [10.9684]
_cell_length_c [23.2118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [ZrNp2P3]
_chemical_formula_sum '[Zr16 Np32 P48]'
_cell_volume [1977.6609]
_cell_formula_units_Z [16]
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
[
  Zr  Zr0  16  0.0000  0.0000  0.0833  1
  Np  Np1  16  0.0000  0.0000  0.2508  1
  Np  Np2  16  0.0000  0.0000  0.4171  1
  P  P3  32  0.0049  0.2465  0.0845  1
  P  P4  16  0.0086  0.2500  0.2500  1
]