data_[Tm12Mg6Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.3384]
_cell_length_b [3.4385]
_cell_length_c [14.2375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6Mg3Tl]
_chemical_formula_sum '[Tm12 Mg6 Tl2]'
_cell_volume [560.7422]
_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  0.0475  0.7500  0.9097  1
  Tm  Tm1  2  0.1289  0.2500  0.4837  1
  Tm  Tm2  2  0.1611  0.7500  0.2807  1
  Tm  Tm3  2  0.2806  0.2500  0.9053  1
  Tm  Tm4  2  0.3208  0.7500  0.7140  1
  Tm  Tm5  2  0.4447  0.7500  0.3065  1
  Mg  Mg6  2  0.2375  0.2500  0.1134  1
  Mg  Mg7  2  0.3729  0.7500  0.5034  1
  Mg  Mg8  2  0.4670  0.7500  0.0930  1
  Tl  Tl9  2  0.0787  0.2500  0.6935  1
]