data_[Sm8Mg12Tl16]
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 [Cmce]
_cell_length_a [6.6432]
_cell_length_b [16.7146]
_cell_length_c [8.5211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm2Mg3Tl4]
_chemical_formula_sum '[Sm8 Mg12 Tl16]'
_cell_volume [946.1636]
_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  8  0.0000  0.1056  0.5904  1.0
  Mg  Mg1  8  0.2500  0.2254  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0000  0.1767  0.9663  1.0
  Tl  Tl4  8  0.2500  0.0517  0.2500  1.0
]