data_[Fe16Os16Ru16]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.6343]
_cell_length_b [9.8776]
_cell_length_c [7.8318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [FeOsRu]
_chemical_formula_sum '[Fe16 Os16 Ru16]'
_cell_volume [667.9497]
_cell_formula_units_Z [16]
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  16  0.1110  0.1927  0.2984  1
  Ru  Ru1  16  0.1021  0.1833  0.9614  1
  Os  Os2  16  0.1190  0.1963  0.6290  1
]