data_[Ca9Ce3Np9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0056]
_cell_length_b [7.0056]
_cell_length_c [16.9858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca3CeNp3N8]
_chemical_formula_sum '[Ca9 Ce3 Np9 N24]'
_cell_volume [721.9575]
_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
[
  Ca  Ca0  9  0.0000  0.5000  0.5000  1
  Ce  Ce1  3  -0.0000  -0.0000  0.0000  1
  Np  Np2  9  0.0000  0.5000  0.0000  1
  N  N3  18  0.0085  0.5042  0.2700  1
  N  N4  6  0.0000  0.0000  0.2573  1
]