data_[Tm6Tl2S2O2]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7430]
_cell_length_b [3.7993]
_cell_length_c [8.7531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3TlSO]
_chemical_formula_sum '[Tm6 Tl2 S2 O2]'
_cell_volume [280.4726]
_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  0.1132  0.2500  0.8595  1.0
  Tm  Tm1  2  0.1651  0.7500  0.5215  1.0
  Tm  Tm2  2  0.4363  0.7500  0.1657  1.0
  Tl  Tl3  2  0.1903  0.2500  0.2325  1.0
  S  S4  2  0.3440  0.7500  0.8438  1.0
  O  O5  2  0.0900  0.2500  0.6026  1.0
]