data_TaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.64
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   95.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr
_chemical_formula_sum   'Ta2 Ir2'
_cell_volume   65.29
_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  0.3  0.16  0.39  1.0
  Ta  Ta3  1  0.08  0.48  0.53  1.0
  Ir  Ir0  1  0.98  0.48  0.03  1.0
  Ir  Ir1  1  0.4  0.16  0.89  1.0

data_TaIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.86
_cell_length_b   4.64
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   95.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaIr
_chemical_formula_sum   'Ta2 Ir2'
_cell_volume   65.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.84  0.93  1.0
  Ir  Ir1  2  0.21  0.84  0.43  1.0

Ta Ta Ir Ir