data_[Fe2Sb2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1265]
_cell_length_b [4.0343]
_cell_length_c [7.2708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [FeSbBrO2]
_chemical_formula_sum '[Fe2 Sb2 Br2 O4]'
_cell_volume [178.6325]
_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
[
  Fe  Fe0  2  0.1195  0.7500  0.8823  1
  Sb  Sb1  2  0.1887  0.7500  0.3973  1
  Br  Br2  2  0.4952  0.2500  0.1968  1
  O  O3  2  0.0062  0.7500  0.1466  1
  O  O4  2  0.0437  0.2500  0.4009  1
]