data_[Tm4Tl1C2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6031]
_cell_length_b [3.6031]
_cell_length_c [14.3662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tm4TlC2S]
_chemical_formula_sum '[Tm4 Tl1 C2 S1]'
_cell_volume [161.5175]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1878  1
  Tm  Tm1  2  0.3333  0.6667  0.3706  1
  Tl  Tl2  1  0.3333  0.6667  0.0000  1
  C  C3  2  0.6667  0.3333  0.2778  1
  S  S4  1  0.0000  0.0000  0.5000  1
]