data_NaRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.68
_cell_angle_alpha   96.73
_cell_angle_beta   96.73
_cell_angle_gamma   119.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Ir
_chemical_formula_sum   'Na1 Re2 Ir1'
_cell_volume   61.43
_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  Na1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.24  0.3  1.0
  Re  Re3  1  0.0  0.76  0.3  1.0
  Ir  Ir0  1  0.62  0.0  0.0  1.0

data_NaRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   119.37
_cell_angle_beta   96.73
_cell_angle_gamma   96.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Ir
_chemical_formula_sum   'Na1 Re2 Ir1'
_cell_volume   61.43
_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  0.3  0.0  0.24  1.0
  Re  Re2  1  0.3  0.0  0.76  1.0
  Ir  Ir3  1  0.0  0.62  0.0  1.0

Na Re Re Ir