data_[Na4Tm16S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8550]
_cell_length_b [12.8432]
_cell_length_c [20.2062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na(Tm2S3)2]
_chemical_formula_sum '[Na4 Tm16 S24]'
_cell_volume [1000.4227]
_cell_formula_units_Z [4]
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  0.3457  0.7500  1
  Tm  Tm1  8  0.0000  0.1321  0.0433  1
  Tm  Tm2  8  0.0000  0.4015  0.1371  1
  S  S3  8  0.0000  0.0385  0.1585  1
  S  S4  8  0.0000  0.2264  0.5797  1
  S  S5  4  0.0000  0.3138  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]