data_LiTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   125.7
_cell_angle_beta   121.99
_cell_angle_gamma   83.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Pt
_chemical_formula_sum   'Li1 Tl2 Pt1'
_cell_volume   79.53
_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  Tl2  1  0.25  0.0  0.85  1.0
  Tl  Tl3  1  0.0  0.39  0.84  1.0
  Pt  Pt1  1  0.0  0.0  0.68  1.0

data_LiTl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.79
_cell_length_c   4.94
_cell_angle_alpha   119.0
_cell_angle_beta   117.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Pt
_chemical_formula_sum   'Li1 Tl2 Pt1'
_cell_volume   79.53
_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  0.16  0.56  0.56  1.0
  Tl  Tl2  1  0.41  0.15  0.41  1.0
  Pt  Pt3  1  0.32  0.32  0.32  1.0

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