data_[Mn32Fe16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.3385]
_cell_length_b [11.9016]
_cell_length_c [6.9140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Mn4Fe2Os]
_chemical_formula_sum '[Mn32 Fe16 Os8]'
_cell_volume [686.1599]
_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
[
  Mn  Mn0  16  0.0022  0.2769  0.4648  1
  Mn  Mn1  16  0.0073  0.1103  0.2810  1
  Fe  Fe2  16  0.0073  0.3926  0.1482  1
  Os  Os3  8  0.0000  0.0000  0.9621  1
]