data_[Ce8Sm6Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8374]
_cell_length_b [8.5046]
_cell_length_c [17.2899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce4Sm3Si4]
_chemical_formula_sum '[Ce8 Sm6 Si8]'
_cell_volume [564.2707]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  8  0.0000  0.1638  0.3286  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0947  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Si  Si3  4  0.0000  0.2762  0.5000  1.0
  Si  Si4  4  0.0000  0.5000  0.2749  1.0
]