data_NaIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   4.35
_cell_angle_alpha   95.89
_cell_angle_beta   95.89
_cell_angle_gamma   22.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIr2Cl
_chemical_formula_sum   'Na1 Ir2 Cl1'
_cell_volume   81.99
_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  Na3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.01  0.0  0.25  1.0
  Ir  Ir2  1  0.42  0.0  0.07  1.0
  Cl  Cl0  1  0.72  0.0  0.16  1.0

data_NaIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.35
_cell_length_c   7.08
_cell_angle_alpha   95.89
_cell_angle_beta   101.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIr2Cl
_chemical_formula_sum   'Na1 Ir2 Cl1'
_cell_volume   81.99
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.07  0.42  1.0
  Ir  Ir2  1  0.0  0.25  0.01  1.0
  Cl  Cl3  1  0.0  0.16  0.72  1.0

Na Ir Ir Cl