data_[Hf20Ni8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.4990]
_cell_length_b [6.4990]
_cell_length_c [13.9091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Hf5Ni2Os]
_chemical_formula_sum '[Hf20 Ni8 Os4]'
_cell_volume [587.4815]
_cell_formula_units_Z [4]
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  16  0.1740  0.3260  0.3506  1
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1291  0.3709  0.0000  1
  Os  Os3  4  0.0000  0.0000  0.2500  1
]