data_[Ba1Ce1Ga2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0421]
_cell_length_b [9.3324]
_cell_length_c [7.2630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaCe(GaBr4)2]
_chemical_formula_sum '[Ba1 Ce1 Ga2 Br8]'
_cell_volume [477.2754]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.5000  0.2621  0.5000  1.0
  Br  Br3  4  0.2281  0.2201  0.8446  1.0
  Br  Br4  2  0.2342  0.0000  0.3087  1.0
  Br  Br5  2  0.2802  0.5000  0.3521  1.0
]