data_[La8Ni8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7512]
_cell_length_b [5.5387]
_cell_length_c [8.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2Ni2Ir]
_chemical_formula_sum '[La8 Ni8 Ir4]'
_cell_volume [399.7005]
_cell_formula_units_Z [4]
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  0.1523  0.3752  0.1536  1.0
  Ni  Ni1  8  0.1227  0.1239  0.4991  1.0
  Ir  Ir2  4  0.0000  0.1481  0.7500  1.0
]