data_[Ce12Si2P4Br6]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5357]
_cell_length_b [4.1669]
_cell_length_c [8.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6SiP2Br3]
_chemical_formula_sum '[Ce12 Si2 P4 Br6]'
_cell_volume [635.2083]
_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  0.0090  0.0000  0.2379  1.0
  Ce  Ce1  4  0.1613  0.5000  0.1054  1.0
  Ce  Ce2  4  0.1738  0.5000  0.5642  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1678  0.0000  0.3351  1.0
  Br  Br5  4  0.1650  0.0000  0.8331  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]