data_Y2ZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.56
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrIr
_chemical_formula_sum   'Y2 Zr1 Ir1'
_cell_volume   93.66
_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
  Y  Y1  1  0.43  0.28  0.43  1.0
  Y  Y2  1  0.66  0.28  0.63  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.35  0.0  0.03  1.0

data_Y2ZrIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.56
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrIr
_chemical_formula_sum   'Y2 Zr1 Ir1'
_cell_volume   93.66
_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
  Y  Y0  1  0.43  0.28  0.43  1.0
  Y  Y1  1  0.66  0.28  0.63  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.35  0.0  0.03  1.0

Y Y Zr Ir