data_YRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.83
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Ir
_chemical_formula_sum   'Y1 Re2 Ir1'
_cell_volume   71.21
_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  0.31  1.0
  Re  Re1  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.44  0.92  0.24  1.0
  Ir  Ir0  1  0.44  0.92  0.06  1.0

data_YRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.83
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Ir
_chemical_formula_sum   'Y1 Re2 Ir1'
_cell_volume   71.21
_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  0.31  1.0
  Re  Re1  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.44  0.92  0.24  1.0
  Ir  Ir3  1  0.44  0.92  0.06  1.0

Y Re Re Ir
Y Re Re Ir 0 2 - - o 0 2 o - o 0 1 o o o 1 3 - - o 1 3 o - o 2 3 o o o 