data_[Tl4Zn4]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4910]
_cell_length_b [7.4434]
_cell_length_c [5.6532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TlZn]
_chemical_formula_sum '[Tl4 Zn4]'
_cell_volume [188.9763]
_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  2  0.5000  0.2886  0.1664  1
  Tl  Tl1  1  0.0000  0.0000  0.0473  1
  Tl  Tl2  1  0.5000  0.0000  0.6156  1
  Zn  Zn3  2  0.0000  0.3028  0.5415  1
  Zn  Zn4  1  0.0000  0.5000  0.9346  1
  Zn  Zn5  1  0.5000  0.5000  0.6533  1
]