data_Re2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.76
_cell_angle_alpha   99.62
_cell_angle_beta   99.62
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrOs
_chemical_formula_sum   'Re2 Ir1 Os1'
_cell_volume   58.7
_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
  Re  Re2  1  0.63  0.0  0.16  1.0
  Re  Re3  1  0.67  0.0  0.53  1.0
  Ir  Ir0  1  0.15  0.0  0.34  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0

data_Re2IrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.76
_cell_length_c   4.77
_cell_angle_alpha   99.62
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrOs
_chemical_formula_sum   'Re2 Ir1 Os1'
_cell_volume   58.7
_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
  Re  Re0  1  0.0  0.16  0.63  1.0
  Re  Re1  1  0.0  0.53  0.67  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.34  0.15  1.0

Re Re Ir Os
Re Re Ir Os 0 3 + o o 0 1 o o o 2 3 o o o 