data_[Ce4Ga2Ge12Ir2]
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
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7398]
_cell_length_b [8.4039]
_cell_length_c [9.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce2GaGe6Ir]
_chemical_formula_sum '[Ce4 Ga2 Ge12 Ir2]'
_cell_volume [435.8119]
_cell_formula_units_Z [2]
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  0.0000  0.2577  0.7042  1
  Ga  Ga1  2  0.0000  0.0000  0.3478  1
  Ge  Ge2  4  0.0000  0.2141  0.1487  1
  Ge  Ge3  4  0.2119  0.5000  0.4544  1
  Ge  Ge4  4  0.2378  0.5000  0.9702  1
  Ir  Ir5  2  0.0000  0.5000  0.2033  1
]