data_[Li1Tl2Zn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6373]
_cell_length_b [3.6373]
_cell_length_c [6.9349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LiTl2Zn]
_chemical_formula_sum '[Li1 Tl2 Zn1]'
_cell_volume [91.7463]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.5000  0.7185  1
  Tl  Tl1  1  0.0000  0.0000  0.9643  1
  Tl  Tl2  1  0.5000  0.5000  0.2846  1
  Zn  Zn3  1  0.0000  0.0000  0.5326  1
]