data_Ta3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   5.45
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ir
_chemical_formula_sum   'Ta6 Ir2'
_cell_volume   139.26
_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
  Ta  Ta2  1  0.0  0.0  0.26  1.0
  Ta  Ta3  1  0.41  0.35  0.59  1.0
  Ta  Ta4  1  0.0  0.38  0.72  1.0
  Ta  Ta5  1  0.41  0.72  0.05  1.0
  Ta  Ta6  1  0.41  0.1  0.59  1.0
  Ta  Ta7  1  0.0  0.07  0.72  1.0
  Ir  Ir0  1  0.41  0.0  0.82  1.0
  Ir  Ir1  1  0.0  0.72  0.48  1.0

data_Ta3Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.31
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ir
_chemical_formula_sum   'Ta6 Ir2'
_cell_volume   139.26
_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
  Ta  Ta0  1  0.0  0.28  0.62  1.0
  Ta  Ta1  1  0.0  0.28  0.93  1.0
  Ta  Ta2  1  0.0  0.74  0.0  1.0
  Ta  Ta3  1  0.59  0.41  0.65  1.0
  Ta  Ta4  1  0.59  0.41  0.9  1.0
  Ta  Ta5  1  0.59  0.95  0.28  1.0
  Ir  Ir6  1  0.0  0.52  0.28  1.0
  Ir  Ir7  1  0.59  0.18  0.0  1.0

Ta Ta Ta Ta Ta Ta Ir Ir