data_YRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Ir
_chemical_formula_sum   'Y1 Re2 Ir1'
_cell_volume   68.41
_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
  Re  Re1  1  0.38  0.81  0.41  1.0
  Re  Re2  1  0.38  0.19  0.41  1.0
  Ir  Ir0  1  0.76  0.0  0.0  1.0

data_YRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   115.68
_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   68.41
_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
  Re  Re1  1  0.41  0.38  0.81  1.0
  Re  Re2  1  0.41  0.38  0.19  1.0
  Ir  Ir3  1  0.0  0.76  0.0  1.0

Y Re Re Ir