data_YCuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.35
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuIr2
_chemical_formula_sum   'Y1 Cu1 Ir2'
_cell_volume   67.3
_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  Y3  1  0.82  0.0  0.63  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.21  0.17  0.13  1.0
  Ir  Ir2  1  0.44  0.17  0.13  1.0

data_YCuIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.35
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuIr2
_chemical_formula_sum   'Y1 Cu1 Ir2'
_cell_volume   67.3
_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  0.82  0.0  0.63  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.21  0.17  0.13  1.0
  Ir  Ir3  1  0.44  0.17  0.13  1.0

Y Cu Ir Ir
Y Cu Ir Ir 0 1 + o + 1 2 o o o 2 3 o o o 