data_[Sm8Pu16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.0100]
_cell_length_b [9.0073]
_cell_length_c [5.9481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmPu2Os]
_chemical_formula_sum '[Sm8 Pu16 Os8]'
_cell_volume [804.1812]
_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
[
  Sm  Sm0  4  0.1089  0.2500  0.7294  1
  Sm  Sm1  4  0.1391  0.7500  0.4938  1
  Pu  Pu2  8  0.0365  0.0518  0.2444  1
  Pu  Pu3  8  0.2141  0.5550  0.9671  1
  Os  Os4  4  0.0664  0.7500  0.0112  1
  Os  Os5  4  0.1808  0.2500  0.2173  1
]