data_HfTaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaIr
_chemical_formula_sum   'Hf1 Ta1 Ir1'
_cell_volume   54.75
_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
  Hf  Hf0  1  0.0  0.0  0.06  1.0
  Ta  Ta2  1  0.0  0.77  0.37  1.0
  Ir  Ir1  1  0.54  0.89  0.27  1.0

data_HfTaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaIr
_chemical_formula_sum   'Hf1 Ta1 Ir1'
_cell_volume   54.75
_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
  Hf  Hf0  1  0.0  0.0  0.06  1.0
  Ta  Ta1  1  0.0  0.77  0.37  1.0
  Ir  Ir2  1  0.54  0.89  0.27  1.0

Hf Ta Ir
Hf Ta Ir 0 2 - - o 0 2 o - o 0 1 o - o 1 2 - o o 1 2 o o o 