data_[Tm14Mg2Tl8]
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 [C2/m]
_cell_length_a [14.7862]
_cell_length_b [5.7200]
_cell_length_c [9.4242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm7MgTl4]
_chemical_formula_sum '[Tm14 Mg2 Tl8]'
_cell_volume [682.6947]
_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  0.0691  0.0000  0.4053  1
  Tm  Tm1  4  0.2025  0.0000  0.8791  1
  Tm  Tm2  4  0.2444  0.0000  0.2817  1
  Tm  Tm3  2  0.0000  0.5000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  4  0.0496  0.5000  0.7048  1
  Tl  Tl6  4  0.1852  0.5000  0.3431  1
]