data_Tl2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   6.35
_cell_angle_alpha   127.65
_cell_angle_beta   127.65
_cell_angle_gamma   49.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Rh3
_chemical_formula_sum   'Tl2 Rh3'
_cell_volume   87.29
_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  0.85  0.0  0.96  1.0
  Tl  Tl4  1  0.86  0.0  0.75  1.0
  Rh  Rh0  1  0.46  0.0  0.91  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.25  0.0  0.8  1.0

data_Tl2Rh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.95
_cell_length_c   5.14
_cell_angle_alpha   78.06
_cell_angle_beta   66.33
_cell_angle_gamma   65.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Rh3
_chemical_formula_sum   'Tl2 Rh3'
_cell_volume   87.29
_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  0.11  0.75  1.0
  Tl  Tl1  1  0.0  0.9  0.96  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.46  0.8  1.0
  Rh  Rh4  1  0.0  0.55  0.91  1.0

Tl Tl Rh Rh Rh
Tl Tl Rh Rh Rh 0 3 + o + 0 1 o o o 1 3 + o + 2 4 o o o 