data_[Ce12Nd4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [17.4423]
_cell_length_b [4.4858]
_cell_length_c [8.3799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3NdSi2]
_chemical_formula_sum '[Ce12 Nd4 Si8]'
_cell_volume [601.3015]
_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
[
  Ce  Ce0  4  0.0509  0.0000  0.6725  1.0
  Ce  Ce1  4  0.1488  0.5000  0.5059  1.0
  Ce  Ce2  4  0.1866  0.5000  0.8636  1.0
  Nd  Nd3  4  0.1120  0.0000  0.1430  1.0
  Si  Si4  4  0.0103  0.5000  0.8636  1.0
  Si  Si5  4  0.2484  0.5000  0.2733  1.0
]