data_YTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   140.97
_cell_angle_beta   128.6
_cell_angle_gamma   66.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Ru
_chemical_formula_sum   'Y1 Tl2 Ru1'
_cell_volume   91.2
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.91  0.0  0.63  1.0
  Tl  Tl2  1  0.0  0.48  0.16  1.0
  Ru  Ru0  1  0.0  0.0  0.79  1.0

data_YTl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.97
_cell_length_c   5.73
_cell_angle_alpha   115.7
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Ru
_chemical_formula_sum   'Y1 Tl2 Ru1'
_cell_volume   91.2
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.28  0.37  0.28  1.0
  Tl  Tl2  1  0.84  0.32  0.32  1.0
  Ru  Ru3  1  0.21  0.21  0.21  1.0

Y Tl Tl Ru