data_[Np4Ta4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6600]
_cell_length_b [7.3602]
_cell_length_c [6.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpTaClO4]
_chemical_formula_sum '[Np4 Ta4 Cl4 O16]'
_cell_volume [507.1581]
_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  0.2276  0.0000  0.1443  1
  Ta  Ta1  4  0.1287  0.5000  0.2351  1
  Cl  Cl2  4  0.0044  0.0000  0.7642  1
  O  O3  8  0.2152  0.2959  0.1741  1
  O  O4  4  0.0610  0.5000  0.8609  1
  O  O5  4  0.1785  0.5000  0.5213  1
]