data_TlRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRu2Rh
_chemical_formula_sum   'Tl1 Ru2 Rh1'
_cell_volume   63.98
_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  0.96  0.96  0.0  1.0
  Ru  Ru1  1  0.0  0.96  0.09  1.0
  Ru  Ru2  1  0.96  0.0  0.09  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_TlRu2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlRu2Rh
_chemical_formula_sum   'Tl2 Ru4 Rh2'
_cell_volume   127.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.46  0.5  0.0  1.0
  Ru  Ru1  4  0.48  0.48  0.09  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Tl Ru Ru Rh
Tl Ru Ru Rh 0 3 + + o 1 2 - + o 