data_NaZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   157.0
_cell_angle_beta   157.0
_cell_angle_gamma   32.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnIr
_chemical_formula_sum   'Na1 Zn1 Ir1'
_cell_volume   52.34
_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  0.57  1.0
  Zn  Zn2  1  0.0  0.0  0.67  1.0
  Ir  Ir0  1  0.0  0.0  0.19  1.0

data_NaZnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZnIr
_chemical_formula_sum   'Na2 Zn2 Ir2'
_cell_volume   104.68
_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  0.43  1.0
  Zn  Zn1  2  0.0  0.0  0.33  1.0
  Ir  Ir2  2  0.0  0.0  0.81  1.0

Na Zn Ir