data_[Sm4Mg12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [17.2203]
_cell_length_b [4.8528]
_cell_length_c [7.8289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMg3Tl2]
_chemical_formula_sum '[Sm4 Mg12 Tl8]'
_cell_volume [608.3354]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.1171  0.0000  0.1798  1.0
  Mg  Mg1  4  0.0710  0.0000  0.7007  1.0
  Mg  Mg2  4  0.1301  0.5000  0.5049  1.0
  Mg  Mg3  4  0.1979  0.5000  0.9193  1.0
  Tl  Tl4  4  0.0178  0.5000  0.8250  1.0
  Tl  Tl5  4  0.2386  0.0000  0.6722  1.0
]