data_[Fe8Os8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1436]
_cell_length_b [4.1461]
_cell_length_c [5.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [FeOs]
_chemical_formula_sum '[Fe8 Os8]'
_cell_volume [198.6557]
_cell_formula_units_Z [8]
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  4  0.0838  0.2500  0.2482  1.0
  Fe  Fe1  4  0.1648  0.7500  0.0059  1.0
  Os  Os2  4  0.0805  0.2500  0.7599  1.0
  Os  Os3  4  0.1690  0.7500  0.5021  1.0
]