data_[Ce8Ga4Ir4]
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/m]
_cell_length_a [13.7621]
_cell_length_b [3.8650]
_cell_length_c [7.1795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2GaIr]
_chemical_formula_sum '[Ce8 Ga4 Ir4]'
_cell_volume [381.8102]
_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  4  0.0471  0.0000  0.2779  1.0
  Ce  Ce1  4  0.2315  0.0000  0.7272  1.0
  Ga  Ga2  4  0.0970  0.5000  0.9537  1.0
  Ir  Ir3  4  0.1055  0.5000  0.5763  1.0
]