data_[Li4Sm4Si8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3686]
_cell_length_b [11.9366]
_cell_length_c [6.2863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiSm(SiS3)2]
_chemical_formula_sum '[Li4 Sm4 Si8 S24]'
_cell_volume [902.3555]
_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  0.3179  0.7500  1.0
  Sm  Sm1  4  0.0000  0.1213  0.2500  1.0
  Si  Si2  8  0.2037  0.4209  0.2674  1.0
  S  S3  8  0.1196  0.0843  0.6774  1.0
  S  S4  8  0.1320  0.2750  0.1084  1.0
  S  S5  8  0.1429  0.4335  0.5659  1.0
]