data_NaReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReIr2
_chemical_formula_sum   'Na1 Re1 Ir2'
_cell_volume   60.92
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.91  0.0  0.0  1.0
  Ir  Ir0  1  0.46  0.08  0.36  1.0
  Ir  Ir1  1  0.46  0.92  0.36  1.0

data_NaReIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   105.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReIr2
_chemical_formula_sum   'Na1 Re1 Ir2'
_cell_volume   60.92
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  -0.0  0.91  0.0  1.0
  Ir  Ir2  1  0.36  0.46  0.92  1.0
  Ir  Ir3  1  0.36  0.46  0.08  1.0

Na Re Ir Ir