data_[Na4Tl4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.0160]
_cell_length_b [3.5262]
_cell_length_c [6.0281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaTlSn]
_chemical_formula_sum '[Na4 Tl4 Sn4]'
_cell_volume [342.2010]
_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  2  0.0018  0.0000  0.7000  1.0
  Na  Na1  2  0.3368  0.5000  0.1626  1.0
  Tl  Tl2  2  0.0055  0.5000  0.1985  1.0
  Tl  Tl3  2  0.1727  0.5000  0.6945  1.0
  Sn  Sn4  2  0.1711  0.0000  0.1981  1.0
  Sn  Sn5  2  0.3299  0.0000  0.6504  1.0
]