data_[Ce12Ge8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.7996]
_cell_length_b [14.3766]
_cell_length_c [9.7597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3Ge2Br]
_chemical_formula_sum '[Ce12 Ge8 Br4]'
_cell_volume [653.0971]
_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  8  0.2499  0.1206  0.9730  1
  Ce  Ce1  4  0.0000  0.1269  0.2500  1
  Ge  Ge2  4  0.0000  0.2545  0.7500  1
  Ge  Ge3  4  0.2500  0.2500  0.5000  1
  Br  Br4  4  0.0000  0.4828  0.2500  1
]