data_[Li9Sm9Nb3S24]
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
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8376]
_cell_length_b [7.8376]
_cell_length_c [18.5301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3Sm3NbS8]
_chemical_formula_sum '[Li9 Sm9 Nb3 S24]'
_cell_volume [985.7602]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  9  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  3  -0.0000  -0.0000  0.5000  1.0
  S  S3  18  0.0296  0.5148  0.2468  1.0
  S  S4  6  0.0000  0.0000  0.2530  1.0
]