data_[Tl8Zn4]
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 [Cm]
_cell_length_a [11.6562]
_cell_length_b [3.4627]
_cell_length_c [8.1569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2Zn]
_chemical_formula_sum '[Tl8 Zn4]'
_cell_volume [318.8850]
_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  0.0190  0.0000  0.0130  1.0
  Tl  Tl1  2  0.1061  0.5000  0.3948  1.0
  Tl  Tl2  2  0.3135  0.0000  0.2067  1.0
  Tl  Tl3  2  0.3742  0.0000  0.6362  1.0
  Zn  Zn4  2  0.1055  0.0000  0.6969  1.0
  Zn  Zn5  2  0.2483  0.5000  0.8857  1.0
]