data_[Tm4Ti2Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7124]
_cell_length_b [11.6334]
_cell_length_c [7.8661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Ti(TlS2)3]
_chemical_formula_sum '[Tm4 Ti2 Tl6 S12]'
_cell_volume [587.9384]
_cell_formula_units_Z [2]
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  4  0.0000  0.3344  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1712  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2202  0.1572  0.1892  1.0
  S  S5  4  0.2496  0.5000  0.1961  1.0
]