data_[Tl4Zn4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2623]
_cell_length_b [6.6835]
_cell_length_c [5.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlZnSn3]
_chemical_formula_sum '[Tl4 Zn4 Sn12]'
_cell_volume [535.4773]
_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
[
  Tl  Tl0  4  0.0765  0.5000  0.7928  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  8  0.1493  0.2506  0.3316  1.0
  Sn  Sn4  4  0.1811  0.0000  0.8567  1.0
]