data_[Fe2Br3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5395]
_cell_length_b [8.9890]
_cell_length_c [18.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Fe2(BrCl)3]
_chemical_formula_sum '[Fe2 Br3 Cl3]'
_cell_volume [1091.3052]
_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
[
  Fe  Fe0  2  0.0978  0.3519  0.5041  1
  Br  Br1  2  0.9495  0.2768  0.4002  1
  Br  Br2  1  0.9130  0.5000  0.5922  1
  Cl  Cl3  2  0.4043  0.2867  0.5311  1
  Cl  Cl4  1  0.4087  0.0000  0.5369  1
]