data_Tl2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.74
_cell_angle_alpha   101.39
_cell_angle_beta   101.39
_cell_angle_gamma   40.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdRu
_chemical_formula_sum   'Tl2 Pd1 Ru1'
_cell_volume   78.61
_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
  Tl  Tl2  1  0.27  0.0  0.23  1.0
  Tl  Tl3  1  0.19  0.0  0.38  1.0
  Pd  Pd0  1  0.73  0.0  0.81  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Tl2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.63
_cell_length_c   5.74
_cell_angle_alpha   101.39
_cell_angle_beta   90.0
_cell_angle_gamma   110.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdRu
_chemical_formula_sum   'Tl2 Pd1 Ru1'
_cell_volume   78.61
_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
  Tl  Tl0  1  0.0  0.73  0.77  1.0
  Tl  Tl1  1  0.0  0.81  0.62  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.27  0.19  1.0

Tl Tl Pd Ru
Tl Tl Pd Ru 0 1 o o o 0 3 o o o 2 3 + o + 