data_[Np1Cu3Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6536]
_cell_length_b [7.0550]
_cell_length_c [7.6533]
_cell_angle_alpha [115.4267]
_cell_angle_beta [94.5761]
_cell_angle_gamma [93.5586]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NpCu3Cl8]
_chemical_formula_sum '[Np1 Cu3 Cl8]'
_cell_volume [321.5659]
_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  1  0.0000  0.0000  0.0000  1
  Cu  Cu1  1  0.0000  0.5000  0.0000  1
  Cu  Cu2  1  0.5000  0.0000  0.5000  1
  Cu  Cu3  1  0.5000  0.5000  0.5000  1
  Cl  Cl4  2  0.1935  0.6593  0.8730  1
  Cl  Cl5  2  0.2361  0.1566  0.3250  1
  Cl  Cl6  2  0.2454  0.1684  0.8560  1
  Cl  Cl7  2  0.3269  0.6858  0.3850  1
]