[CIF]
data_BaFeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70376236
_cell_length_b   5.70376236
_cell_length_c   5.74184302
_cell_angle_alpha   119.25967304
_cell_angle_beta   119.25967304
_cell_angle_gamma   48.75798895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeBr2
_chemical_formula_sum   'Ba1 Fe1 Br2'
_cell_volume   118.52386730
_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  3.65460466  0.00000000  2.42256009  1
  Br  Br1  1  6.85545030  -0.00000000  1.09217284  1
  Br  Br2  1  0.45375901  -0.00000000  3.75294733  1
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
