data_[Na6Y4Al2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  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 [6.6950]
_cell_length_b [11.6075]
_cell_length_c [7.0397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Y2AlS6]
_chemical_formula_sum '[Na6 Y4 Al2 S12]'
_cell_volume [518.4975]
_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  0.1672  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Y  Y2  4  0.0000  0.3334  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2267  0.1537  0.2184  1
  S  S5  4  0.2328  0.0000  0.7858  1
]