data_[Sm8Zn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8731]
_cell_length_b [4.2582]
_cell_length_c [10.6282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2ZnSi2]
_chemical_formula_sum '[Sm8 Zn4 Si8]'
_cell_volume [431.6023]
_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  0.1081  0.0000  0.9126  1.0
  Sm  Sm1  4  0.2114  0.5000  0.6516  1.0
  Zn  Zn2  4  0.0523  0.5000  0.3085  1.0
  Si  Si3  4  0.0377  0.0000  0.4133  1.0
  Si  Si4  4  0.1146  0.5000  0.1122  1.0
]