data_Ta2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ir
_chemical_formula_sum   'Ta16 Ir8'
_cell_volume   425.36
_cell_formula_units_Z   8
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  Ta8  1  0.49  0.48  0.48  1.0
  Ta  Ta9  1  0.48  0.49  0.48  1.0
  Ta  Ta10  1  0.48  0.48  0.49  1.0
  Ta  Ta11  1  0.49  0.49  0.49  1.0
  Ta  Ta12  1  0.97  0.97  0.21  1.0
  Ta  Ta13  1  0.97  0.21  0.97  1.0
  Ta  Ta14  1  0.21  0.97  0.97  1.0
  Ta  Ta15  1  0.73  0.97  0.97  1.0
  Ta  Ta16  1  0.97  0.73  0.97  1.0
  Ta  Ta17  1  0.97  0.97  0.73  1.0
  Ta  Ta18  1  0.95  0.95  0.71  1.0
  Ta  Ta19  1  0.95  0.71  0.95  1.0
  Ta  Ta20  1  0.71  0.95  0.95  1.0
  Ta  Ta21  1  0.19  0.95  0.95  1.0
  Ta  Ta22  1  0.95  0.19  0.95  1.0
  Ta  Ta23  1  0.95  0.95  0.19  1.0
  Ir  Ir0  1  0.81  0.81  0.81  1.0
  Ir  Ir1  1  0.09  0.09  0.81  1.0
  Ir  Ir2  1  0.09  0.81  0.09  1.0
  Ir  Ir3  1  0.81  0.09  0.09  1.0
  Ir  Ir4  1  0.11  0.11  0.11  1.0
  Ir  Ir5  1  0.83  0.83  0.11  1.0
  Ir  Ir6  1  0.83  0.11  0.83  1.0
  Ir  Ir7  1  0.11  0.83  0.83  1.0

data_Ta2Ir
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   20.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta2Ir
_chemical_formula_sum   'Ta48 Ir24'
_cell_volume   1276.07
_cell_formula_units_Z   24
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  0.01  0.01  0.52  1.0
  Ta  Ta1  9  0.08  0.16  0.97  1.0
  Ta  Ta2  9  0.08  0.16  0.95  1.0
  Ta  Ta3  9  0.16  0.08  0.13  1.0
  Ta  Ta4  9  0.16  0.08  0.11  1.0
  Ta  Ta5  3  0.0  0.0  0.51  1.0
  Ir  Ir6  9  0.09  0.19  0.08  1.0
  Ir  Ir7  9  0.19  0.09  1.0  1.0
  Ir  Ir8  3  0.0  0.0  0.19  1.0
  Ir  Ir9  3  0.0  0.0  0.89  1.0

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