data_[Na4Li4B4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.6508]
_cell_length_b [13.3111]
_cell_length_c [4.8268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [NaLiBSe2]
_chemical_formula_sum '[Na4 Li4 B4 Se8]'
_cell_volume [427.3165]
_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
[
  Na  Na0  4  0.0000  0.2500  0.7521  1
  Li  Li1  4  0.2500  0.0000  0.5000  1
  B  B2  4  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.0000  0.1152  0.2265  1
]