data_[Ce12Si2C4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5635]
_cell_length_b [3.8455]
_cell_length_c [8.7412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6SiC2Br3]
_chemical_formula_sum '[Ce12 Si2 C4 Br6]'
_cell_volume [580.7831]
_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  0.0262  0.0000  0.2521  1.0
  Ce  Ce1  4  0.1665  0.5000  0.1417  1.0
  Ce  Ce2  4  0.1824  0.5000  0.5497  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1724  0.0000  0.3414  1.0
  Br  Br5  4  0.1607  0.0000  0.8344  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]