data_TlIrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.02
_cell_angle_alpha   99.83
_cell_angle_beta   99.83
_cell_angle_gamma   35.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrRh2
_chemical_formula_sum   'Tl1 Ir1 Rh2'
_cell_volume   65.54
_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  0.12  0.0  0.47  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.6  0.0  0.11  1.0
  Rh  Rh2  1  0.64  0.0  0.83  1.0

data_TlIrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.8
_cell_length_c   5.02
_cell_angle_alpha   99.83
_cell_angle_beta   90.0
_cell_angle_gamma   107.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrRh2
_chemical_formula_sum   'Tl1 Ir1 Rh2'
_cell_volume   65.54
_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  0.88  0.53  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.36  0.17  1.0
  Rh  Rh3  1  0.0  0.4  0.89  1.0

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