data_NaZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.43
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnIr2
_chemical_formula_sum   'Na1 Zn1 Ir2'
_cell_volume   63.47
_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  0.89  0.0  0.81  1.0
  Zn  Zn3  1  0.49  0.21  0.8  1.0
  Ir  Ir0  1  0.44  0.0  0.22  1.0
  Ir  Ir1  1  0.86  0.21  0.92  1.0

data_NaZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.43
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnIr2
_chemical_formula_sum   'Na1 Zn1 Ir2'
_cell_volume   63.47
_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  0.89  0.0  0.81  1.0
  Zn  Zn1  1  0.49  0.21  0.8  1.0
  Ir  Ir2  1  0.44  0.0  0.22  1.0
  Ir  Ir3  1  0.86  0.21  0.92  1.0

Na Zn Ir Ir