data_[Ba2Li6Np8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.3429]
_cell_length_b [10.3429]
_cell_length_c [10.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [BaLi3(NpSe3)4]
_chemical_formula_sum '[Ba2 Li6 Np8 Se24]'
_cell_volume [1106.4455]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Li  Li1  6  0.0000  0.0000  0.5000  1
  Np  Np2  8  0.2500  0.2500  0.2500  1
  Se  Se3  24  0.0000  0.1753  0.3025  1
]