data_[Ce2In4Ga2Br12]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7584]
_cell_length_b [8.4563]
_cell_length_c [13.3343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeIn2GaBr6]
_chemical_formula_sum '[Ce2 In4 Ga2 Br12]'
_cell_volume [738.8857]
_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  0.5000  1.0
  In  In1  4  0.2991  0.5841  0.7709  1.0
  Ga  Ga2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1083  0.5503  0.2445  1.0
  Br  Br4  4  0.2467  0.2108  0.0735  1.0
  Br  Br5  4  0.3618  0.6765  0.0475  1.0
]