data_[Ce10Si2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0851]
_cell_length_b [5.9326]
_cell_length_c [8.5648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5SiBr5]
_chemical_formula_sum '[Ce10 Si2 Br10]'
_cell_volume [629.0877]
_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  0.1604  0.0000  0.3141  1
  Ce  Ce1  4  0.1728  0.0000  0.8566  1
  Ce  Ce2  2  0.0000  0.5000  0.0000  1
  Si  Si3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1508  0.5000  0.8033  1
  Br  Br5  4  0.1597  0.5000  0.3447  1
  Br  Br6  2  0.0000  0.0000  0.5000  1
]