data_[Na24Sr32Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8823]
_cell_length_b [19.4480]
_cell_length_c [11.9794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na12Sr16Tl]
_chemical_formula_sum '[Na24 Sr32 Tl2]'
_cell_volume [2669.2189]
_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
[
  Na  Na0  4  0.0926  0.0958  0.3505  1
  Na  Na1  4  0.1800  0.1871  0.1795  1
  Na  Na2  4  0.2331  0.4095  0.6353  1
  Na  Na3  4  0.2523  0.0894  0.9845  1
  Na  Na4  4  0.4896  0.3138  0.8226  1
  Na  Na5  2  0.1421  0.5000  0.8252  1
  Na  Na6  2  0.3239  0.5000  0.1887  1
  Sr  Sr7  4  0.0206  0.3092  0.3213  1
  Sr  Sr8  4  0.0323  0.3855  0.0189  1
  Sr  Sr9  4  0.1933  0.1944  0.6773  1
  Sr  Sr10  4  0.3101  0.3181  0.0016  1
  Sr  Sr11  4  0.3360  0.3449  0.3917  1
  Sr  Sr12  4  0.4496  0.1593  0.6109  1
  Sr  Sr13  2  0.3051  0.0000  0.6799  1
  Sr  Sr14  2  0.3980  0.0000  0.3455  1
  Sr  Sr15  2  0.4952  0.5000  0.6406  1
  Sr  Sr16  2  0.4995  0.5000  0.0039  1
  Tl  Tl17  2  0.1571  0.5000  0.3281  1
]