data_[Na12Er9Al3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7386]
_cell_length_b [7.7386]
_cell_length_c [20.0242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4Er3AlS8]
_chemical_formula_sum '[Na12 Er9 Al3 S24]'
_cell_volume [1038.4993]
_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
[
  Na  Na0  9  0.0000  0.5000  0.0000  1.0
  Na  Na1  3  0.0000  0.0000  0.0000  1.0
  Er  Er2  9  0.0000  0.5000  0.5000  1.0
  Al  Al3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  18  0.0218  0.5109  0.2386  1.0
  S  S5  6  0.0000  0.0000  0.2423  1.0
]