data_YIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.91
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIr2Os
_chemical_formula_sum   'Y1 Ir2 Os1'
_cell_volume   68.16
_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  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.43  0.96  0.74  1.0
  Ir  Ir1  1  0.43  0.96  0.35  1.0
  Os  Os2  1  0.0  0.0  0.04  1.0

data_YIr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.91
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIr2Os
_chemical_formula_sum   'Y1 Ir2 Os1'
_cell_volume   68.16
_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  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.04  1.0
  Ir  Ir2  1  0.43  0.96  0.35  1.0
  Ir  Ir3  1  0.43  0.96  0.74  1.0

Y Ir Ir Os
Y Ir Ir Os 0 3 o o o 0 1 o - - 0 1 - - - 0 2 o - o 0 2 - - o 1 3 o + + 1 3 + + + 1 2 o o o 2 3 o + o 2 3 + + o 