data_TlIrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.85
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrRh2
_chemical_formula_sum   'Tl1 Ir1 Rh2'
_cell_volume   65.38
_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  0.93  0.0  0.96  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.43  0.92  0.33  1.0
  Rh  Rh2  1  0.31  0.92  0.6  1.0

data_TlIrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.85
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrRh2
_chemical_formula_sum   'Tl1 Ir1 Rh2'
_cell_volume   65.38
_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  0.93  0.0  0.96  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.31  0.92  0.6  1.0
  Rh  Rh3  1  0.43  0.92  0.33  1.0

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