data_[Na9Np9Zn3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Np  1.3600  1.7500  1.0000
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1887]
_cell_length_b [8.1887]
_cell_length_c [21.0487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Np3ZnSe8]
_chemical_formula_sum '[Na9 Np9 Zn3 Se24]'
_cell_volume [1222.3072]
_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
[
  Na  Na0  9  0.0000  0.5000  0.0000  1
  Np  Np1  9  0.0000  0.5000  0.5000  1
  Zn  Zn2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0110  0.5055  0.2389  1
  Se  Se4  6  0.0000  0.0000  0.2440  1
]