data_[Cs4Ce2In2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Pmmn]
_cell_length_a [8.3615]
_cell_length_b [12.1601]
_cell_length_c [9.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2CeInBr6]
_chemical_formula_sum '[Cs4 Ce2 In2 Br12]'
_cell_volume [917.2719]
_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
[
  Cs  Cs0  4  0.0000  0.2790  0.2016  1.0
  Ce  Ce1  2  0.0000  0.0000  0.7789  1.0
  In  In2  2  0.0000  0.5000  0.7173  1.0
  Br  Br3  4  0.0000  0.2396  0.7881  1.0
  Br  Br4  4  0.2410  0.0000  0.0152  1.0
  Br  Br5  4  0.2414  0.5000  0.4345  1.0
]