data_[Li8Np4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5054]
_cell_length_b [13.3312]
_cell_length_c [14.2662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2NpBr5]
_chemical_formula_sum '[Li8 Np4 Br20]'
_cell_volume [1047.0395]
_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
[
  Li  Li0  8  0.0000  0.1483  0.5299  1
  Np  Np1  4  0.0000  0.1984  0.2500  1
  Br  Br2  8  0.0000  0.0387  0.1194  1
  Br  Br3  8  0.0000  0.3177  0.0738  1
  Br  Br4  4  0.0000  0.2363  0.7500  1
]