data_[Na6Sm4Al2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8103]
_cell_length_b [11.8103]
_cell_length_c [7.0644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Sm2AlS6]
_chemical_formula_sum '[Na6 Sm4 Al2 S12]'
_cell_volume [537.6425]
_cell_formula_units_Z [2]
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  0.1656  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3331  0.0000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2257  0.1517  0.2213  1.0
  S  S5  4  0.2272  0.0000  0.7853  1.0
]