data_NaCuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.46
_cell_length_c   2.68
_cell_angle_alpha   84.37
_cell_angle_beta   75.27
_cell_angle_gamma   20.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuIr
_chemical_formula_sum   'Na1 Cu1 Ir1'
_cell_volume   46.91
_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  0.4  0.29  0.76  1.0
  Cu  Cu0  1  0.4  0.29  0.53  1.0
  Ir  Ir1  1  0.4  0.29  0.0  1.0

data_NaCuIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.8
_cell_length_b   14.65
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   121.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCuIr
_chemical_formula_sum   'Na2 Cu2 Ir2'
_cell_volume   93.82
_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  0.29  0.0  0.84  1.0
  Cu  Cu1  2  0.29  0.0  0.07  1.0
  Ir  Ir2  2  0.29  0.0  0.6  1.0

Na Cu Ir