data_NaLiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.69
_cell_length_c   2.73
_cell_angle_alpha   84.42
_cell_angle_beta   75.52
_cell_angle_gamma   20.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiIr
_chemical_formula_sum   'Na1 Li1 Ir1'
_cell_volume   50.13
_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  0.43  0.32  0.18  1.0
  Li  Li1  1  0.43  0.32  0.8  1.0
  Ir  Ir0  1  0.43  0.32  0.15  1.0

data_NaLiIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.86
_cell_length_b   15.12
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   121.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLiIr
_chemical_formula_sum   'Na2 Li2 Ir2'
_cell_volume   100.27
_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  0.18  0.0  0.61  1.0
  Li  Li1  2  0.3  0.5  0.23  1.0
  Ir  Ir2  2  0.15  0.0  0.58  1.0

Na Li Ir