data_[Ce1Ga1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8932]
_cell_length_b [8.9996]
_cell_length_c [7.2299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeGa(SnBr4)2]
_chemical_formula_sum '[Ce1 Ga1 Sn2 Br8]'
_cell_volume [448.4614]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2581  0.5000  1.0
  Br  Br3  4  0.2368  0.2384  0.1622  1.0
  Br  Br4  2  0.2504  0.0000  0.6734  1.0
  Br  Br5  2  0.2750  0.5000  0.6543  1.0
]