data_[Ce16Ir4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6563]
_cell_length_b [13.4055]
_cell_length_c [6.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4IrC]
_chemical_formula_sum '[Ce16 Ir4 C4]'
_cell_volume [554.8008]
_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
[
  Ce  Ce0  8  0.1447  0.2083  0.6881  1.0
  Ce  Ce1  8  0.2453  0.0567  0.2260  1.0
  Ir  Ir2  4  0.0000  0.3913  0.2500  1.0
  C  C3  4  0.0000  0.0553  0.7500  1.0
]