data_Tl5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   8.76
_cell_angle_alpha   109.82
_cell_angle_beta   109.82
_cell_angle_gamma   29.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Ir
_chemical_formula_sum   'Tl5 Ir1'
_cell_volume   164.68
_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  Tl1  1  0.93  0.0  0.94  1.0
  Tl  Tl2  1  0.29  0.0  0.27  1.0
  Tl  Tl3  1  0.15  0.0  0.09  1.0
  Tl  Tl4  1  0.46  0.0  0.1  1.0
  Tl  Tl5  1  0.07  0.0  0.12  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0

data_Tl5Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   6.36
_cell_length_c   8.76
_cell_angle_alpha   109.82
_cell_angle_beta   90.0
_cell_angle_gamma   104.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Ir
_chemical_formula_sum   'Tl5 Ir1'
_cell_volume   164.68
_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  0.07  0.06  1.0
  Tl  Tl1  1  0.0  0.54  0.9  1.0
  Tl  Tl2  1  0.0  0.71  0.73  1.0
  Tl  Tl3  1  0.0  0.85  0.91  1.0
  Tl  Tl4  1  0.0  0.93  0.88  1.0
  Ir  Ir5  1  0.0  0.0  0.0  1.0

Tl Tl Tl Tl Tl Ir