data_[Pr4Nd4Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3866]
_cell_length_b [25.0143]
_cell_length_c [4.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrNdSi3]
_chemical_formula_sum '[Pr4 Nd4 Si12]'
_cell_volume [442.1290]
_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
[
  Pr  Pr0  4  0.0000  0.0690  0.2500  1
  Nd  Nd1  4  0.0000  0.2018  0.7500  1
  Si  Si2  4  0.0000  0.3249  0.7500  1
  Si  Si3  4  0.0000  0.3813  0.2500  1
  Si  Si4  4  0.0000  0.4755  0.2500  1
]