data_[Np4Pa4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8019]
_cell_length_b [4.9092]
_cell_length_c [12.1657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpPaI]
_chemical_formula_sum '[Np4 Pa4 I4]'
_cell_volume [342.1821]
_cell_formula_units_Z [4]
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  0.2060  0.0000  0.9249  1
  Pa  Pa1  4  0.2175  0.0000  0.1741  1
  I  I2  4  0.1940  0.5000  0.3455  1
]