data_Na2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.4
_cell_length_b   10.4
_cell_length_c   10.4
_cell_angle_alpha   16.87
_cell_angle_beta   16.87
_cell_angle_gamma   16.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SbIr
_chemical_formula_sum   'Na2 Sb1 Ir1'
_cell_volume   82.75
_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  0.27  1.0
  Na  Na2  1  0.0  0.0  0.5  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.38  1.0

data_Na2SbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SbIr
_chemical_formula_sum   'Na4 Sb2 Ir2'
_cell_volume   165.5
_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  0.5  1.0
  Na  Na1  2  0.0  0.0  0.73  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.62  1.0

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