data_[Pr16Si16Os16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.4215]
_cell_length_b [10.9161]
_cell_length_c [12.2676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [PrSiOs]
_chemical_formula_sum '[Pr16 Si16 Os16]'
_cell_volume [993.8469]
_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
[
  Pr  Pr0  16  0.1250  0.1250  0.1250  1
  Si  Si1  16  0.0000  0.0000  0.3397  1
  Os  Os2  16  0.0000  0.1348  0.5000  1
]