data_Na2CuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   4.48
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CuIr
_chemical_formula_sum   'Na2 Cu1 Ir1'
_cell_volume   69.58
_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  0.5  0.0  0.85  1.0
  Na  Na3  1  0.58  0.24  0.52  1.0
  Cu  Cu0  1  0.95  0.0  0.3  1.0
  Ir  Ir1  1  0.85  0.24  0.21  1.0

data_Na2CuIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.48
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CuIr
_chemical_formula_sum   'Na2 Cu1 Ir1'
_cell_volume   69.58
_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  0.5  0.0  0.85  1.0
  Na  Na1  1  0.58  0.24  0.52  1.0
  Cu  Cu2  1  0.95  0.0  0.3  1.0
  Ir  Ir3  1  0.85  0.24  0.21  1.0

Na Na Cu Ir