data_TlCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.94
_cell_angle_alpha   110.09
_cell_angle_beta   110.09
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdRu2
_chemical_formula_sum   'Tl1 Cd1 Ru2'
_cell_volume   71.48
_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  0.41  0.0  0.61  1.0
  Cd  Cd0  1  0.34  0.0  0.85  1.0
  Ru  Ru1  1  0.13  0.0  0.21  1.0
  Ru  Ru2  1  0.64  0.0  0.26  1.0

data_TlCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.94
_cell_length_c   5.44
_cell_angle_alpha   110.09
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdRu2
_chemical_formula_sum   'Tl1 Cd1 Ru2'
_cell_volume   71.48
_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  0.61  0.41  1.0
  Cd  Cd1  1  0.0  0.85  0.34  1.0
  Ru  Ru2  1  0.0  0.21  0.13  1.0
  Ru  Ru3  1  0.0  0.26  0.64  1.0

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