data_[Tm2Tl2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3582]
_cell_length_b [6.5824]
_cell_length_c [8.7609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmTlSiS4]
_chemical_formula_sum '[Tm2 Tl2 Si2 S8]'
_cell_volume [350.0198]
_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  2  0.2271  0.2500  0.5506  1.0
  Tl  Tl1  2  0.2586  0.2500  0.0685  1.0
  Si  Si2  2  0.2271  0.7500  0.3321  1.0
  S  S3  4  0.0024  0.0008  0.2958  1.0
  S  S4  2  0.4246  0.7500  0.1763  1.0
  S  S5  2  0.4292  0.7500  0.5737  1.0
]