data_[Ce8Al8Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6252]
_cell_length_b [4.5683]
_cell_length_c [9.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Al2Ga]
_chemical_formula_sum '[Ce8 Al8 Ga4]'
_cell_volume [447.6907]
_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  0.0766  0.0000  0.3622  1.0
  Ce  Ce1  4  0.1888  0.0000  0.0560  1.0
  Al  Al2  4  0.0036  0.5000  0.1378  1.0
  Al  Al3  4  0.1163  0.5000  0.6083  1.0
  Ga  Ga4  4  0.2423  0.0000  0.6996  1.0
]