data_[Tm12Tl2In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6203]
_cell_length_b [5.1404]
_cell_length_c [11.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6TlIn3]
_chemical_formula_sum '[Tm12 Tl2 In6]'
_cell_volume [538.4977]
_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  0.1005  0.7500  0.8817  1
  Tm  Tm1  2  0.1295  0.7500  0.1798  1
  Tm  Tm2  2  0.1708  0.2500  0.7001  1
  Tm  Tm3  2  0.2463  0.7500  0.5052  1
  Tm  Tm4  2  0.3457  0.2500  0.3163  1
  Tm  Tm5  2  0.4440  0.7500  0.0880  1
  Tl  Tl6  2  0.0569  0.2500  0.3904  1
  In  In7  2  0.2143  0.2500  0.0253  1
  In  In8  2  0.3809  0.7500  0.7917  1
  In  In9  2  0.4697  0.2500  0.6112  1
]