data_[Ce2In2Ga2Br12]
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 [P4_2nm]
_cell_length_a [7.2317]
_cell_length_b [7.2317]
_cell_length_c [13.5939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CeInGaBr6]
_chemical_formula_sum '[Ce2 In2 Ga2 Br12]'
_cell_volume [710.9367]
_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  0.3336  1.0
  In  In1  2  0.0000  0.0000  0.9985  1.0
  Ga  Ga2  2  0.0000  0.0000  0.6620  1.0
  Br  Br3  4  0.1835  0.8165  0.4911  1.0
  Br  Br4  4  0.1912  0.8088  0.1825  1.0
  Br  Br5  4  0.2249  0.7751  0.8293  1.0
]