data_[Na12Tb9Tm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9728]
_cell_length_b [7.9728]
_cell_length_c [20.0448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4Tb3TmS8]
_chemical_formula_sum '[Na12 Tb9 Tm3 S24]'
_cell_volume [1103.4403]
_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
  Tb  Tb2  9  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  18  0.0040  0.5020  0.2420  1.0
  S  S5  6  0.0000  0.0000  0.2427  1.0
]