data_[Sm4Co4Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1947]
_cell_length_b [3.9126]
_cell_length_c [10.1874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmCoSi3]
_chemical_formula_sum '[Sm4 Co4 Si12]'
_cell_volume [326.6331]
_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  4  0.1928  0.2500  0.9625  1.0
  Co  Co1  4  0.0805  0.2500  0.6509  1.0
  Si  Si2  4  0.0442  0.2500  0.4190  1.0
  Si  Si3  4  0.1216  0.7500  0.1842  1.0
  Si  Si4  4  0.1933  0.7500  0.7437  1.0
]