data_[Ce8Ga4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0164]
_cell_length_b [5.4336]
_cell_length_c [8.0486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2GaIr2]
_chemical_formula_sum '[Ce8 Ga4 Ir8]'
_cell_volume [419.0712]
_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  0.1479  0.3424  0.1496  1.0
  Ga  Ga1  4  0.0000  0.1548  0.7500  1.0
  Ir  Ir2  8  0.1315  0.1408  0.5131  1.0
]