data_TiTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   131.6
_cell_angle_beta   131.6
_cell_angle_gamma   70.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Ru
_chemical_formula_sum   'Ti1 Tl2 Ru1'
_cell_volume   77.06
_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  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.13  0.0  0.12  1.0
  Tl  Tl3  1  0.0  0.0  0.24  1.0
  Ru  Ru0  1  0.0  0.13  0.12  1.0

data_TiTl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.2
_cell_angle_alpha   114.2
_cell_angle_beta   114.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Ru
_chemical_formula_sum   'Ti1 Tl2 Ru1'
_cell_volume   77.06
_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  0.12  0.99  0.99  1.0
  Tl  Tl2  1  0.24  0.24  0.24  1.0
  Ru  Ru3  1  0.99  0.12  0.99  1.0

Ti Tl Tl Ru