data_[La16Mg8Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.5436]
_cell_length_b [10.3847]
_cell_length_c [17.8458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2MgTl3]
_chemical_formula_sum '[La16 Mg8 Tl24]'
_cell_volume [1398.0188]
_cell_formula_units_Z [8]
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
[
  La  La0  8  0.2423  0.0000  0.0000  1.0
  La  La1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  8  0.0000  0.0000  0.3329  1.0
  Tl  Tl3  16  0.0000  0.2435  0.4146  1.0
  Tl  Tl4  8  0.0000  0.0000  0.1707  1.0
]