data_Li2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   142.58
_cell_angle_beta   130.01
_cell_angle_gamma   64.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlRu
_chemical_formula_sum   'Li2 Tl1 Ru1'
_cell_volume   65.6
_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  0.21  0.33  1.0
  Li  Li1  1  0.68  0.0  0.1  1.0
  Tl  Tl3  1  0.0  0.0  0.43  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Li2TlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.42
_cell_length_c   5.23
_cell_angle_alpha   115.0
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlRu
_chemical_formula_sum   'Li2 Tl1 Ru1'
_cell_volume   65.6
_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  0.58  0.9  0.58  1.0
  Li  Li1  1  0.67  0.88  0.88  1.0
  Tl  Tl2  1  0.57  0.57  0.57  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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