data_NaIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   158.54
_cell_angle_beta   158.54
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIrAu
_chemical_formula_sum   'Na1 Ir1 Au1'
_cell_volume   52.78
_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  0.46  1.0
  Ir  Ir1  1  0.0  0.0  0.78  1.0
  Au  Au0  1  0.0  0.0  0.06  1.0

data_NaIrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaIrAu
_chemical_formula_sum   'Na2 Ir2 Au2'
_cell_volume   105.56
_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  0.46  0.0  0.46  1.0
  Ir  Ir1  2  0.28  0.5  0.78  1.0
  Au  Au2  2  0.06  0.0  0.06  1.0

Na Ir Au