data_[Tm12U3Tl3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1331]
_cell_length_b [8.1331]
_cell_length_c [19.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm4UTlS8]
_chemical_formula_sum '[Tm12 U3 Tl3 S24]'
_cell_volume [1144.3657]
_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
[
  Tm  Tm0  9  0.1714  0.3427  0.8331  1
  Tm  Tm1  3  0.0000  0.0000  0.6253  1
  U  U2  3  0.0000  0.0000  0.0026  1
  Tl  Tl3  3  0.0000  0.0000  0.3760  1
  S  S4  9  0.0451  0.5225  0.7569  1
  S  S5  9  0.1740  0.3481  0.5782  1
  S  S6  3  0.0000  0.0000  0.2340  1
  S  S7  3  0.0000  0.0000  0.7578  1
]