data_[Fe2Os4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1440]
_cell_length_b [2.9173]
_cell_length_c [6.8394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeOs2Br]
_chemical_formula_sum '[Fe2 Os4 Br2]'
_cell_volume [162.1812]
_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  0.1680  0.5000  0.1598  1
  Os  Os1  2  0.2137  0.0000  0.8390  1
  Os  Os2  2  0.4491  0.5000  0.9849  1
  Br  Br3  2  0.1693  0.5000  0.5163  1
]