data_TlPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.97
_cell_angle_alpha   100.22
_cell_angle_beta   100.22
_cell_angle_gamma   34.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPdRu2
_chemical_formula_sum   'Tl1 Pd1 Ru2'
_cell_volume   65.78
_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  Tl3  1  0.18  0.0  0.44  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.72  0.0  0.06  1.0
  Ru  Ru2  1  0.64  0.0  0.82  1.0

data_TlPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.86
_cell_length_c   4.97
_cell_angle_alpha   100.22
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPdRu2
_chemical_formula_sum   'Tl1 Pd1 Ru2'
_cell_volume   65.78
_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  0.82  0.56  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.28  0.94  1.0
  Ru  Ru3  1  0.0  0.36  0.18  1.0

Tl Pd Ru Ru