data_Ti2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlRu
_chemical_formula_sum   'Ti2 Tl1 Ru1'
_cell_volume   72.63
_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  0.67  0.0  0.19  1.0
  Ti  Ti2  1  0.0  0.0  0.82  1.0
  Tl  Tl3  1  0.67  0.0  0.34  1.0
  Ru  Ru0  1  0.0  0.0  0.95  1.0

data_Ti2TlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlRu
_chemical_formula_sum   'Ti2 Tl1 Ru1'
_cell_volume   72.63
_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  0.82  1.0
  Ti  Ti1  1  0.67  0.0  0.19  1.0
  Tl  Tl2  1  0.67  0.0  0.34  1.0
  Ru  Ru3  1  0.0  0.0  0.95  1.0

Ti Ti Tl Ru