data_Ta5Ir24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Ir24
_chemical_formula_sum   'Ta5 Ir24'
_cell_volume   447.39
_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
  Ta  Ta24  1  0.78  0.78  0.22  1.0
  Ta  Ta25  1  0.78  0.22  0.78  1.0
  Ta  Ta26  1  0.04  0.04  0.04  1.0
  Ta  Ta27  1  0.22  0.78  0.78  1.0
  Ta  Ta28  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.95  0.12  0.88  1.0
  Ir  Ir1  1  0.95  0.88  0.12  1.0
  Ir  Ir2  1  0.69  0.88  0.88  1.0
  Ir  Ir3  1  0.87  0.94  0.94  1.0
  Ir  Ir4  1  0.12  0.95  0.88  1.0
  Ir  Ir5  1  0.88  0.95  0.12  1.0
  Ir  Ir6  1  0.94  0.87  0.94  1.0
  Ir  Ir7  1  0.88  0.69  0.88  1.0
  Ir  Ir8  1  0.94  0.94  0.87  1.0
  Ir  Ir9  1  0.88  0.88  0.69  1.0
  Ir  Ir10  1  0.88  0.12  0.95  1.0
  Ir  Ir11  1  0.12  0.88  0.95  1.0
  Ir  Ir12  1  0.34  0.31  0.69  1.0
  Ir  Ir13  1  0.34  0.69  0.31  1.0
  Ir  Ir14  1  0.48  0.5  0.5  1.0
  Ir  Ir15  1  0.3  0.31  0.31  1.0
  Ir  Ir16  1  0.31  0.34  0.69  1.0
  Ir  Ir17  1  0.69  0.34  0.31  1.0
  Ir  Ir18  1  0.31  0.3  0.31  1.0
  Ir  Ir19  1  0.5  0.48  0.5  1.0
  Ir  Ir20  1  0.31  0.31  0.3  1.0
  Ir  Ir21  1  0.5  0.5  0.48  1.0
  Ir  Ir22  1  0.69  0.31  0.34  1.0
  Ir  Ir23  1  0.31  0.69  0.34  1.0

data_Ta5Ir24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.63
_cell_length_b   13.63
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta5Ir24
_chemical_formula_sum   'Ta15 Ir72'
_cell_volume   1342.18
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Ta  Ta0  9  0.19  0.37  0.59  1.0
  Ta  Ta1  3  0.0  0.0  0.0  1.0
  Ta  Ta2  3  0.0  0.0  0.04  1.0
  Ir  Ir3  18  0.14  0.04  0.98  1.0
  Ir  Ir4  18  0.2  0.43  0.11  1.0
  Ir  Ir5  9  0.01  0.99  0.31  1.0
  Ir  Ir6  9  0.01  0.02  0.5  1.0
  Ir  Ir7  9  0.02  0.05  0.92  1.0
  Ir  Ir8  9  0.06  0.12  0.81  1.0

Ta Ta Ta Ta Ta Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir