data_TlIrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   150.11
_cell_angle_beta   129.51
_cell_angle_gamma   59.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrRh2
_chemical_formula_sum   'Tl1 Ir1 Rh2'
_cell_volume   65.99
_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  0.44  0.0  0.83  1.0
  Ir  Ir0  1  0.0  0.0  0.39  1.0
  Rh  Rh1  1  0.0  0.38  0.8  1.0
  Rh  Rh2  1  0.0  0.0  0.31  1.0

data_TlIrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.75
_cell_length_c   5.57
_cell_angle_alpha   115.25
_cell_angle_beta   104.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrRh2
_chemical_formula_sum   'Tl1 Ir1 Rh2'
_cell_volume   65.99
_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  0.61  0.17  0.61  1.0
  Ir  Ir1  1  0.61  0.61  0.61  1.0
  Rh  Rh2  1  0.2  0.58  0.58  1.0
  Rh  Rh3  1  0.69  0.69  0.69  1.0

Tl Ir Rh Rh