data_NaLaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.17
_cell_length_b   10.17
_cell_length_c   10.17
_cell_angle_alpha   16.78
_cell_angle_beta   16.78
_cell_angle_gamma   16.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaIr2
_chemical_formula_sum   'Na1 La1 Ir2'
_cell_volume   76.45
_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
  La  La2  1  0.0  0.0  0.04  1.0
  Ir  Ir0  1  0.0  0.0  0.53  1.0
  Ir  Ir1  1  0.0  0.0  0.55  1.0

data_NaLaIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLaIr2
_chemical_formula_sum   'Na2 La2 Ir4'
_cell_volume   152.9
_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  0.0  1.0
  La  La1  2  -0.0  0.0  0.96  1.0
  Ir  Ir2  2  -0.0  0.0  0.45  1.0
  Ir  Ir3  2  -0.0  0.0  0.47  1.0

Na La Ir Ir