data_[Sm8Si20Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.7362]
_cell_length_b [12.1494]
_cell_length_c [5.7280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sm2Si5Os3]
_chemical_formula_sum '[Sm8 Si20 Os12]'
_cell_volume [677.5543]
_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
[
  Sm  Sm0  8  0.2330  0.3653  0.5000  1
  Si  Si1  8  0.0000  0.2103  0.2500  1
  Si  Si2  8  0.1663  0.0964  0.5000  1
  Si  Si3  4  0.0000  0.5000  0.2500  1
  Os  Os4  8  0.0961  0.3543  0.0000  1
  Os  Os5  4  0.0000  0.0000  0.2500  1
]