data_[Tb12Nd4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1501]
_cell_length_b [4.3517]
_cell_length_c [9.2233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3NdSi2]
_chemical_formula_sum '[Tb12 Nd4 Si8]'
_cell_volume [631.8005]
_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
[
  Tb  Tb0  4  0.0478  0.0000  0.6973  1.0
  Tb  Tb1  4  0.1518  0.5000  0.4789  1.0
  Tb  Tb2  4  0.1912  0.5000  0.8845  1.0
  Nd  Nd3  4  0.1157  0.0000  0.1347  1.0
  Si  Si4  4  0.0114  0.5000  0.8758  1.0
  Si  Si5  4  0.2351  0.0000  0.7113  1.0
]