data_[Sm8Si16Tc20]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7077]
_cell_length_b [10.0965]
_cell_length_c [13.5814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2Si4Tc5]
_chemical_formula_sum '[Sm8 Si16 Tc20]'
_cell_volume [782.6561]
_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  0.0000  0.0000  0.1320  1
  Si  Si1  16  0.0000  0.1454  0.3647  1
  Tc  Tc2  8  0.2500  0.2500  0.0000  1
  Tc  Tc3  8  0.2500  0.2500  0.2500  1
  Tc  Tc4  4  0.0000  0.0000  0.5000  1
]