data_Na2FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.55
_cell_length_b   10.55
_cell_length_c   10.55
_cell_angle_alpha   15.1
_cell_angle_beta   15.1
_cell_angle_gamma   15.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2FeIr
_chemical_formula_sum   'Na2 Fe1 Ir1'
_cell_volume   69.37
_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  0.34  1.0
  Na  Na3  1  0.0  0.0  0.46  1.0
  Fe  Fe0  1  0.0  0.0  0.31  1.0
  Ir  Ir1  1  0.0  0.0  0.82  1.0

data_Na2FeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   2.77
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   98.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2FeIr
_chemical_formula_sum   'Na4 Fe2 Ir2'
_cell_volume   138.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.54  1.0
  Na  Na1  2  0.0  0.0  0.66  1.0
  Fe  Fe2  2  0.0  0.0  0.69  1.0
  Ir  Ir3  2  0.0  0.0  0.18  1.0

Na Na Fe Ir
Na Na Fe Ir 0 2 o o o 0 1 o o o 3 3 o + - 3 3 + - o 3 3 + o - 