data_[Ce10Nd10Si12]
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 [Cm]
_cell_length_a [10.9201]
_cell_length_b [10.9567]
_cell_length_c [8.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce5Nd5Si6]
_chemical_formula_sum '[Ce10 Nd10 Si12]'
_cell_volume [825.3572]
_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
[
  Ce  Ce0  4  0.1427  0.1790  0.2855  1.0
  Ce  Ce1  4  0.2649  0.2465  0.0266  1.0
  Ce  Ce2  2  0.4622  0.0000  0.2857  1.0
  Nd  Nd3  4  0.3524  0.3191  0.7056  1.0
  Nd  Nd4  2  0.0321  0.5000  0.7027  1.0
  Nd  Nd5  2  0.1776  0.0000  0.7099  1.0
  Nd  Nd6  2  0.3203  0.5000  0.2920  1.0
  Si  Si7  4  0.4965  0.2493  0.4921  1.0
  Si  Si8  4  0.4997  0.1144  0.9972  1.0
  Si  Si9  2  0.1118  0.0000  0.9979  1.0
  Si  Si10  2  0.3835  0.5000  0.9977  1.0
]