data_[Fe4Mo2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6936]
_cell_length_b [2.6551]
_cell_length_c [4.5726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe2MoOs]
_chemical_formula_sum '[Fe4 Mo2 Os2]'
_cell_volume [104.0668]
_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  0.2442  0.5000  0.2401  1
  Fe  Fe1  2  0.4993  0.5000  0.9927  1
  Mo  Mo2  2  0.4989  0.0000  0.4855  1
  Os  Os3  2  0.2576  0.0000  0.7817  1
]