data_Tl5Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Ir4
_chemical_formula_sum   'Tl10 Ir8'
_cell_volume   360.93
_cell_formula_units_Z   2
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  Tl8  1  0.06  0.3  0.4  1.0
  Tl  Tl9  1  0.31  0.0  0.4  1.0
  Tl  Tl10  1  0.85  1.0  0.4  1.0
  Tl  Tl11  1  0.15  1.0  0.47  1.0
  Tl  Tl12  1  0.12  0.0  0.47  1.0
  Tl  Tl13  1  0.94  0.3  0.47  1.0
  Tl  Tl14  1  0.0  0.86  0.94  1.0
  Tl  Tl15  1  0.21  0.43  0.0  1.0
  Tl  Tl16  1  0.21  0.43  0.94  1.0
  Tl  Tl17  1  0.0  0.86  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.94  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.72  0.97  0.4  1.0
  Ir  Ir3  1  0.99  0.0  0.4  1.0
  Ir  Ir4  1  0.5  0.33  0.4  1.0
  Ir  Ir5  1  0.5  0.33  0.47  1.0
  Ir  Ir6  1  0.43  0.0  0.47  1.0
  Ir  Ir7  1  0.28  0.97  0.47  1.0

data_Tl5Ir4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.87
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Ir4
_chemical_formula_sum   'Tl10 Ir8'
_cell_volume   360.93
_cell_formula_units_Z   2
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  0.21  0.43  1.0
  Tl  Tl1  1  -0.0  0.0  0.86  1.0
  Tl  Tl2  1  0.4  0.06  0.3  1.0
  Tl  Tl3  1  0.4  0.31  0.0  1.0
  Tl  Tl4  1  0.4  0.85  1.0  1.0
  Tl  Tl5  1  0.47  0.12  0.0  1.0
  Tl  Tl6  1  0.47  0.15  1.0  1.0
  Tl  Tl7  1  0.47  0.94  0.3  1.0
  Tl  Tl8  1  0.94  0.0  0.86  1.0
  Tl  Tl9  1  0.94  0.21  0.43  1.0
  Ir  Ir10  1  0.0  0.0  0.0  1.0
  Ir  Ir11  1  0.4  0.5  0.33  1.0
  Ir  Ir12  1  0.4  0.72  0.97  1.0
  Ir  Ir13  1  0.4  0.99  0.0  1.0
  Ir  Ir14  1  0.47  0.28  0.97  1.0
  Ir  Ir15  1  0.47  0.43  0.0  1.0
  Ir  Ir16  1  0.47  0.5  0.33  1.0
  Ir  Ir17  1  0.94  0.0  0.0  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Ir Ir Ir Ir Ir Ir Ir Ir
Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Ir Ir Ir Ir Ir Ir Ir Ir 0 5 - o o 1 17 o - o 1 16 o o o 2 12 o o o 2 13 o + o 3 4 o + o 4 13 - o o 6 9 o o + 7 8 o o - 10 11 o o + 14 15 o o o 16 17 o - o 