data_[Np2Si12Ir7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.7557]
_cell_length_b [9.7557]
_cell_length_c [4.0313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Np2Si12Ir7]
_chemical_formula_sum '[Np2 Si12 Ir7]'
_cell_volume [332.2674]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.2466  1
  Si  Si1  6  0.0987  0.4404  0.7276  1
  Si  Si2  6  0.1249  0.8592  0.2684  1
  Ir  Ir3  6  0.0728  0.6734  0.7811  1
  Ir  Ir4  1  0.0000  0.0000  0.5000  1
]