data_[Ce2In6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8228]
_cell_length_b [8.7315]
_cell_length_c [13.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce(InBr2)3]
_chemical_formula_sum '[Ce2 In6 Br12]'
_cell_volume [777.7401]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.3023  0.5801  0.2774  1.0
  In  In2  2  0.5000  0.0000  0.5000  1.0
  Br  Br3  4  0.0908  0.5686  0.7376  1.0
  Br  Br4  4  0.2494  0.2232  0.5860  1.0
  Br  Br5  4  0.3590  0.6657  0.5426  1.0
]