data_[Tm13Tl2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6362]
_cell_length_b [8.4322]
_cell_length_c [8.7515]
_cell_angle_alpha [66.8069]
_cell_angle_beta [78.7261]
_cell_angle_gamma [82.5654]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm13Tl2]
_chemical_formula_sum '[Tm13 Tl2]'
_cell_volume [440.7032]
_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  0.1201  0.4818  0.7390  1
  Tm  Tm1  2  0.1996  0.2284  0.1508  1
  Tm  Tm2  2  0.2576  0.9398  0.5822  1
  Tm  Tm3  2  0.3061  0.6548  0.9735  1
  Tm  Tm4  2  0.3734  0.4097  0.3884  1
  Tm  Tm5  2  0.4879  0.1455  0.7956  1
  Tm  Tm6  1  0.0000  0.0000  0.0000  1
  Tl  Tl7  2  0.0604  0.7696  0.3789  1
]