data_YRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.42
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   35.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Ir
_chemical_formula_sum   'Y1 Re2 Ir1'
_cell_volume   71.97
_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  0.14  0.0  0.79  1.0
  Re  Re1  1  0.21  0.0  0.17  1.0
  Re  Re2  1  0.63  0.0  0.9  1.0
  Ir  Ir0  1  0.65  0.0  0.12  1.0

data_YRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.86
_cell_length_c   5.42
_cell_angle_alpha   100.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Ir
_chemical_formula_sum   'Y1 Re2 Ir1'
_cell_volume   71.97
_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  0.86  0.21  1.0
  Re  Re1  1  0.0  0.37  0.1  1.0
  Re  Re2  1  0.0  0.79  0.83  1.0
  Ir  Ir3  1  0.0  0.35  0.88  1.0

Y Re Re Ir