data_[Ce12Ga2Ge4]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2905]
_cell_length_b [13.5046]
_cell_length_c [8.0698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce6GaGe2]
_chemical_formula_sum '[Ce12 Ga2 Ge4]'
_cell_volume [467.5768]
_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  0.1047  0.1479  1.0
  Ce  Ce1  4  0.5000  0.2094  0.7866  1.0
  Ce  Ce2  2  0.0000  0.0000  0.7016  1.0
  Ce  Ce3  2  0.5000  0.0000  0.4631  1.0
  Ga  Ga4  2  0.5000  0.0000  0.9594  1.0
  Ge  Ge5  4  0.0000  0.1857  0.5034  1.0
]