data_[Na2La6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9411]
_cell_length_b [9.2069]
_cell_length_c [9.6562]
_cell_angle_alpha [100.6228]
_cell_angle_beta [99.6076]
_cell_angle_gamma [90.0486]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaLa3Ir]
_chemical_formula_sum '[Na2 La6 Ir2]'
_cell_volume [339.3609]
_cell_formula_units_Z [2]
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  2  0.0184  0.3040  0.4681  1.0
  La  La1  2  0.2195  0.8417  0.9193  1.0
  La  La2  2  0.3222  0.5248  0.1721  1.0
  La  La3  2  0.3706  0.9205  0.2969  1.0
  Ir  Ir4  2  0.2071  0.2678  0.9007  1.0
]