data_[Y8Pu8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1368]
_cell_length_b [9.2328]
_cell_length_c [10.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [YPuOs]
_chemical_formula_sum '[Y8 Pu8 Os8]'
_cell_volume [566.6452]
_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
[
  Y  Y0  8  0.0000  0.1786  0.5000  1
  Pu  Pu1  8  0.0000  0.0000  0.1763  1
  Os  Os2  8  0.2500  0.2500  0.2500  1
]