data_NaSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   131.26
_cell_angle_beta   131.26
_cell_angle_gamma   71.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSnIr2
_chemical_formula_sum   'Na1 Sn1 Ir2'
_cell_volume   67.39
_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  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.05  0.0  0.01  1.0
  Ir  Ir0  1  0.0  0.0  0.03  1.0
  Ir  Ir1  1  0.0  0.05  0.01  1.0

data_NaSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   4.96
_cell_angle_alpha   114.37
_cell_angle_beta   114.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSnIr2
_chemical_formula_sum   'Na1 Sn1 Ir2'
_cell_volume   67.39
_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
  Sn  Sn1  1  0.01  0.97  0.97  1.0
  Ir  Ir2  1  0.03  0.03  0.03  1.0
  Ir  Ir3  1  0.97  0.01  0.97  1.0

Na Sn Ir Ir