data_[La16Ir6N2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3526]
_cell_length_b [8.1101]
_cell_length_c [8.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ir3NCl4]
_chemical_formula_sum '[La16 Ir6 N2 Cl8]'
_cell_volume [880.8314]
_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
[
  La  La0  8  0.0104  0.2314  0.3065  1.0
  La  La1  4  0.2379  0.0000  0.7068  1.0
  La  La2  4  0.2389  0.5000  0.7094  1.0
  Ir  Ir3  4  0.2500  0.2500  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl6  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl7  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl8  2  0.0000  0.5000  0.0000  1.0
]