data_[Nd16Si2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7562]
_cell_length_b [5.2219]
_cell_length_c [6.8981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8SiSn2]
_chemical_formula_sum '[Nd16 Si2 Sn4]'
_cell_volume [684.8886]
_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
[
  Nd  Nd0  4  0.0146  0.0000  0.7773  1.0
  Nd  Nd1  4  0.0896  0.5000  0.4624  1.0
  Nd  Nd2  4  0.1519  0.5000  0.9976  1.0
  Nd  Nd3  4  0.2186  0.0000  0.3179  1.0
  Si  Si4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.1770  0.0000  0.7474  1.0
]