data_[Ce16Ga4Ir4]
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 [Cmcm]
_cell_length_a [5.3136]
_cell_length_b [19.7395]
_cell_length_c [6.1770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce4GaIr]
_chemical_formula_sum '[Ce16 Ga4 Ir4]'
_cell_volume [647.8810]
_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  0.0000  0.2875  0.0304  1.0
  Ce  Ce1  4  0.0000  0.0971  0.2500  1.0
  Ce  Ce2  4  0.0000  0.4444  0.2500  1.0
  Ga  Ga3  4  0.0000  0.1510  0.7500  1.0
  Ir  Ir4  4  0.0000  0.4145  0.7500  1.0
]