data_[Nd4Sm12Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3837]
_cell_length_b [4.4143]
_cell_length_c [9.3943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm3Si2]
_chemical_formula_sum '[Nd4 Sm12 Si8]'
_cell_volume [655.4972]
_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
[
  Nd  Nd0  4  0.1160  0.0000  0.1322  1.0
  Sm  Sm1  4  0.0465  0.0000  0.6980  1.0
  Sm  Sm2  4  0.1527  0.5000  0.4753  1.0
  Sm  Sm3  4  0.1906  0.5000  0.8844  1.0
  Si  Si4  4  0.0087  0.5000  0.8751  1.0
  Si  Si5  4  0.2358  0.0000  0.7136  1.0
]