data_[Na14Tl4Sn4]
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 [C2/m]
_cell_length_a [8.5015]
_cell_length_b [9.7594]
_cell_length_c [8.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na7(TlSn)2]
_chemical_formula_sum '[Na14 Tl4 Sn4]'
_cell_volume [660.2815]
_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  8  0.2091  0.3003  0.6886  1.0
  Na  Na1  4  0.1773  0.0000  0.9386  1.0
  Na  Na2  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  4  0.0000  0.3035  0.0000  1.0
  Sn  Sn4  4  0.1092  0.5000  0.3566  1.0
]