data_TaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr
_chemical_formula_sum   'Ta2 Ir2'
_cell_volume   74.19
_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  0.98  0.15  0.08  1.0
  Ta  Ta3  1  0.0  0.29  0.36  1.0
  Ir  Ir0  1  0.0  0.0  0.72  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0

data_TaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr
_chemical_formula_sum   'Ta2 Ir2'
_cell_volume   74.19
_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  0.29  0.36  1.0
  Ta  Ta1  1  0.98  0.15  0.08  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.72  1.0

Ta Ta Ir Ir