data_[Ce2Ga8Ir2]
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 [Pmma]
_cell_length_a [7.6443]
_cell_length_b [4.1811]
_cell_length_c [7.0241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CeGa4Ir]
_chemical_formula_sum '[Ce2 Ga8 Ir2]'
_cell_volume [224.5028]
_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  2  0.2500  0.0000  0.3607  1.0
  Ga  Ga1  4  0.0633  0.5000  0.6769  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  2  0.2500  0.5000  0.0443  1.0
  Ir  Ir4  2  0.2500  0.0000  0.7861  1.0
]