data_[Ce12Ga8]
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
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.3940]
_cell_length_b [8.3940]
_cell_length_c [7.1907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ce3Ga2]
_chemical_formula_sum '[Ce12 Ga8]'
_cell_volume [506.6497]
_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  0.0000  0.5000  0.2500  1.0
  Ce  Ce1  4  0.1570  0.8430  0.5000  1.0
  Ce  Ce2  4  0.1959  0.8041  0.0000  1.0
  Ga  Ga3  8  0.1200  0.1200  0.2020  1.0
]