data_LiTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   138.45
_cell_angle_beta   131.87
_cell_angle_gamma   65.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Pt
_chemical_formula_sum   'Li1 Tl2 Pt1'
_cell_volume   82.63
_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  0.87  1.0
  Tl  Tl2  1  0.0  0.0  0.18  1.0
  Tl  Tl3  1  0.96  0.0  0.36  1.0
  Pt  Pt1  1  0.0  0.26  0.22  1.0

data_LiTl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.52
_cell_length_c   5.54
_cell_angle_alpha   114.06
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Pt
_chemical_formula_sum   'Li1 Tl2 Pt1'
_cell_volume   82.63
_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  0.13  0.13  0.13  1.0
  Tl  Tl1  1  0.61  0.64  0.61  1.0
  Tl  Tl2  1  0.82  0.82  0.82  1.0
  Pt  Pt3  1  0.78  0.03  0.03  1.0

Li Tl Tl Pt
Li Tl Tl Pt 0 3 o o + 1 3 o o o 1 2 - o o 