data_Tl2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   21.48
_cell_angle_beta   21.48
_cell_angle_gamma   21.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RuRh
_chemical_formula_sum   'Tl2 Ru1 Rh1'
_cell_volume   75.62
_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  0.0  0.0  0.31  1.0
  Tl  Tl3  1  0.0  0.0  0.98  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.65  1.0

data_Tl2RuRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.22
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2RuRh
_chemical_formula_sum   'Tl4 Ru2 Rh2'
_cell_volume   151.24
_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  0.0  0.0  0.02  1.0
  Tl  Tl1  2  0.0  0.0  0.69  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Rh  Rh3  2  0.0  0.0  0.35  1.0

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