data_[Ba8Li4Np4Se20]
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 [Cmc2_1]
_cell_length_a [4.3554]
_cell_length_b [18.6922]
_cell_length_c [13.2898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2LiNpSe5]
_chemical_formula_sum '[Ba8 Li4 Np4 Se20]'
_cell_volume [1081.9410]
_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
[
  Ba  Ba0  4  0.0000  0.1078  0.6929  1
  Ba  Ba1  4  0.0000  0.1223  0.3120  1
  Li  Li2  4  0.0000  0.4387  0.4434  1
  Np  Np3  4  0.0000  0.2070  0.0166  1
  Se  Se4  4  0.0000  0.0671  0.0454  1
  Se  Se5  4  0.0000  0.2862  0.6533  1
  Se  Se6  4  0.0000  0.3033  0.3786  1
  Se  Se7  4  0.0000  0.3519  0.0049  1
  Se  Se8  4  0.0000  0.4991  0.7768  1
]