data_[Al2Fe2B2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.9662]
_cell_length_b [3.4265]
_cell_length_c [6.3122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlFeBBr]
_chemical_formula_sum '[Al2 Fe2 B2 Br2]'
_cell_volume [124.5980]
_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
[
  Al  Al0  2  0.1525  0.5000  0.5170  1
  Fe  Fe1  2  0.3804  0.0000  0.7496  1
  B  B2  2  0.0310  0.0000  0.6895  1
  Br  Br3  2  0.4280  0.0000  0.1453  1
]