data_TlInIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.37
_cell_angle_alpha   100.5
_cell_angle_beta   100.5
_cell_angle_gamma   37.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInIr2
_chemical_formula_sum   'Tl1 In1 Ir2'
_cell_volume   73.09
_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  0.97  0.0  0.64  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.5  0.0  0.04  1.0
  Ir  Ir2  1  0.45  0.0  0.24  1.0

data_TlInIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.75
_cell_length_c   5.37
_cell_angle_alpha   100.5
_cell_angle_beta   90.0
_cell_angle_gamma   108.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInIr2
_chemical_formula_sum   'Tl1 In1 Ir2'
_cell_volume   73.09
_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  0.03  0.36  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.5  0.96  1.0
  Ir  Ir3  1  0.0  0.55  0.76  1.0

Tl In Ir Ir