data_[Hf8Fe2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5951]
_cell_length_b [10.4559]
_cell_length_c [4.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf4FeOs]
_chemical_formula_sum '[Hf8 Fe2 Os2]'
_cell_volume [220.2427]
_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
[
  Hf  Hf0  4  0.0000  0.1502  0.5000  1.0
  Hf  Hf1  4  0.0000  0.3489  0.0000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.0000  1.0
  Os  Os3  2  0.0000  0.5000  0.5000  1.0
]