data_[Ga2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6220]
_cell_length_b [9.8586]
_cell_length_c [6.5040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(FeBr4)2]
_chemical_formula_sum '[Ga2 Fe4 Br16]'
_cell_volume [807.1973]
_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
[
  Ga  Ga0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1917  0.0000  0.6280  1.0
  Br  Br2  8  0.0918  0.1789  0.7825  1.0
  Br  Br3  4  0.1314  0.5000  0.2627  1.0
  Br  Br4  4  0.1784  0.0000  0.2603  1.0
]