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 [P2_1/m]
_cell_length_a [9.2481]
_cell_length_b [3.9528]
_cell_length_c [9.4533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLa3Ir]
_chemical_formula_sum '[Na2 La6 Ir2]'
_cell_volume [335.9315]
_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  0.0283  0.7500  0.1805  1.0
  La  La1  2  0.1967  0.7500  0.5837  1.0
  La  La2  2  0.3282  0.7500  0.9682  1.0
  La  La3  2  0.4088  0.2500  0.3365  1.0
  Ir  Ir4  2  0.4062  0.2500  0.7685  1.0
]