data_[Tm6Mg8Tl8]
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 [Immm]
_cell_length_a [4.6630]
_cell_length_b [7.6799]
_cell_length_c [15.3984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3(MgTl)4]
_chemical_formula_sum '[Tm6 Mg8 Tl8]'
_cell_volume [551.4385]
_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  4  0.0000  0.0000  0.1164  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  8  0.0000  0.1958  0.3260  1.0
  Tl  Tl3  4  0.0000  0.2980  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2188  1.0
]