data_TiTlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   135.74
_cell_angle_beta   135.74
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlRu2
_chemical_formula_sum   'Ti1 Tl1 Ru2'
_cell_volume   65.19
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.94  0.0  0.17  1.0
  Ru  Ru0  1  0.0  0.0  0.35  1.0
  Ru  Ru1  1  0.0  0.94  0.17  1.0

data_TiTlRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.14
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlRu2
_chemical_formula_sum   'Ti1 Tl1 Ru2'
_cell_volume   65.19
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.17  0.24  0.24  1.0
  Ru  Ru2  1  0.24  0.17  0.24  1.0
  Ru  Ru3  1  0.35  0.35  0.35  1.0

Ti Tl Ru Ru