data_Tl2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   138.9
_cell_angle_beta   138.9
_cell_angle_gamma   59.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdRu
_chemical_formula_sum   'Tl2 Pd1 Ru1'
_cell_volume   77.82
_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  0.99  0.0  0.46  1.0
  Tl  Tl3  1  0.0  0.0  0.92  1.0
  Pd  Pd0  1  0.0  0.99  0.46  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   3.98
_cell_length_b   3.98
_cell_length_c   5.67
_cell_angle_alpha   110.55
_cell_angle_beta   110.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdRu
_chemical_formula_sum   'Tl2 Pd1 Ru1'
_cell_volume   77.82
_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  0.08  0.0  0.08  1.0
  Tl  Tl1  1  0.54  0.0  0.53  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.53  0.99  0.53  1.0

Tl Tl Pd Ru