data_[Np6Si8Ir14]
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 [C2/m]
_cell_length_a [15.1148]
_cell_length_b [3.9919]
_cell_length_c [9.3557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np3Si4Ir7]
_chemical_formula_sum '[Np6 Si8 Ir14]'
_cell_volume [461.9556]
_cell_formula_units_Z [2]
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  4  0.1775  0.5000  0.1776  1
  Np  Np1  2  0.0000  0.0000  0.5000  1
  Si  Si2  4  0.1126  0.0000  0.3371  1
  Si  Si3  4  0.1630  0.5000  0.7759  1
  Ir  Ir4  4  0.0041  0.5000  0.7817  1
  Ir  Ir5  4  0.1637  0.0000  0.9280  1
  Ir  Ir6  4  0.1962  0.5000  0.5504  1
  Ir  Ir7  2  0.0000  0.0000  0.0000  1
]