data_LiTl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   135.99
_cell_angle_beta   135.99
_cell_angle_gamma   63.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Zn
_chemical_formula_sum   'Li1 Tl2 Zn1'
_cell_volume   92.0
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.17  0.0  0.45  1.0
  Tl  Tl2  1  0.0  0.0  0.9  1.0
  Zn  Zn3  1  0.0  0.17  0.45  1.0

data_LiTl2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.78
_cell_angle_alpha   112.0
_cell_angle_beta   112.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Zn
_chemical_formula_sum   'Li1 Tl2 Zn1'
_cell_volume   92.0
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.1  0.0  0.1  1.0
  Tl  Tl2  1  0.55  0.0  0.71  1.0
  Zn  Zn3  1  0.71  0.17  0.71  1.0

Li Tl Tl Zn