data_[La8Ir20C16]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4358]
_cell_length_b [10.6653]
_cell_length_c [10.8323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2Ir5C4]
_chemical_formula_sum '[La8 Ir20 C16]'
_cell_volume [627.9942]
_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  0.0000  0.0000  0.3442  1
  Ir  Ir1  8  0.2500  0.2500  0.0000  1
  Ir  Ir2  8  0.2500  0.2500  0.2500  1
  Ir  Ir3  4  0.0000  0.0000  0.0000  1
  C  C4  16  0.0000  0.1540  0.1284  1
]