data_[Na12Sr8Tl16]
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 [Cmce]
_cell_length_a [7.0413]
_cell_length_b [19.0731]
_cell_length_c [8.8782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Na3(SrTl2)2]
_chemical_formula_sum '[Na12 Sr8 Tl16]'
_cell_volume [1192.3336]
_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
[
  Na  Na0  8  0.2500  0.2317  0.2500  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  Sr  Sr2  8  0.0000  0.1011  0.5917  1.0
  Tl  Tl3  8  0.0000  0.1638  0.9755  1.0
  Tl  Tl4  8  0.2500  0.0655  0.2500  1.0
]