data_LiTlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   146.9
_cell_angle_beta   129.82
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlRu2
_chemical_formula_sum   'Li1 Tl1 Ru2'
_cell_volume   62.45
_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  Tl3  1  0.0  0.0  0.57  1.0
  Ru  Ru1  1  0.0  0.26  0.37  1.0
  Ru  Ru2  1  0.51  0.0  0.2  1.0

data_LiTlRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.51
_cell_length_c   5.32
_cell_angle_alpha   115.09
_cell_angle_beta   106.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlRu2
_chemical_formula_sum   'Li1 Tl1 Ru2'
_cell_volume   62.45
_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  0.0  0.57  0.57  1.0
  Ru  Ru2  1  0.0  0.2  0.68  1.0
  Ru  Ru3  1  0.74  0.12  0.12  1.0

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