data_ReSiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   147.53
_cell_angle_beta   129.84
_cell_angle_gamma   61.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiIr2
_chemical_formula_sum   'Re1 Si1 Ir2'
_cell_volume   56.31
_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  0.0  0.0  0.45  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.19  0.49  1.0
  Ir  Ir1  1  0.44  0.0  0.96  1.0

data_ReSiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.38
_cell_length_c   5.17
_cell_angle_alpha   115.08
_cell_angle_beta   106.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiIr2
_chemical_formula_sum   'Re1 Si1 Ir2'
_cell_volume   56.31
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.45  0.45  1.0
  Ir  Ir2  1  0.0  0.96  0.52  1.0
  Ir  Ir3  1  0.81  0.3  0.3  1.0

Re Si Ir Ir