data_[Tm20Tl8S4O4]
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 [Cmc2_1]
_cell_length_a [3.7976]
_cell_length_b [17.6350]
_cell_length_c [13.0814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm5Tl2SO]
_chemical_formula_sum '[Tm20 Tl8 S4 O4]'
_cell_volume [876.0620]
_cell_formula_units_Z [4]
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  0.0331  0.0143  1.0
  Tm  Tm1  4  0.0000  0.2971  0.6676  1.0
  Tm  Tm2  4  0.0000  0.3232  0.3762  1.0
  Tm  Tm3  4  0.0000  0.3408  0.0135  1.0
  Tm  Tm4  4  0.0000  0.4940  0.7805  1.0
  Tl  Tl5  4  0.0000  0.1176  0.6904  1.0
  Tl  Tl6  4  0.0000  0.1385  0.3320  1.0
  S  S7  4  0.0000  0.1896  0.0211  1.0
  O  O8  4  0.0000  0.4497  0.4285  1.0
]