data_[Np6Ir2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0026]
_cell_length_b [3.4564]
_cell_length_c [5.1058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np3IrC4]
_chemical_formula_sum '[Np6 Ir2 C8]'
_cell_volume [225.8469]
_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  0.1806  0.0000  0.1983  1
  Np  Np1  2  0.0000  0.0000  0.5000  1
  Ir  Ir2  2  0.0000  0.5000  0.0000  1
  C  C3  4  0.1270  0.5000  0.8046  1
  C  C4  4  0.1463  0.5000  0.5383  1
]