data_[Li8Sb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [19.2012]
_cell_length_b [6.3758]
_cell_length_c [8.1666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Li2Sb2Se5]
_chemical_formula_sum '[Li8 Sb8 Se20]'
_cell_volume [999.7821]
_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  4  0.0000  0.0000  0.9875  1.0
  Li  Li1  4  0.2500  0.5220  0.5250  1.0
  Sb  Sb2  8  0.1395  0.0103  0.5170  1.0
  Se  Se3  8  0.0395  0.6449  0.8087  1.0
  Se  Se4  8  0.1343  0.1149  0.9151  1.0
  Se  Se5  4  0.2500  0.6353  0.8418  1.0
]