data_Tl3Rh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Rh2
_chemical_formula_sum   'Tl3 Rh2'
_cell_volume   109.18
_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  0.0  1.0
  Tl  Tl3  1  0.37  0.37  0.58  1.0
  Tl  Tl4  1  0.0  0.74  0.04  1.0
  Rh  Rh0  1  0.37  0.37  0.75  1.0
  Rh  Rh1  1  0.0  0.74  0.87  1.0

data_Tl3Rh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Rh2
_chemical_formula_sum   'Tl3 Rh2'
_cell_volume   109.18
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.74  0.04  1.0
  Tl  Tl2  1  0.37  0.37  0.58  1.0
  Rh  Rh3  1  0.0  0.74  0.87  1.0
  Rh  Rh4  1  0.37  0.37  0.75  1.0

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