data_[Nd12Si4Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3856]
_cell_length_b [8.1509]
_cell_length_c [11.9094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Si2Pd]
_chemical_formula_sum '[Nd12 Si4 Pd2]'
_cell_volume [524.0969]
_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  0.0611  0.6827  0.9359  1
  Nd  Nd1  4  0.2965  0.1648  0.9410  1
  Nd  Nd2  4  0.3737  0.5394  0.7368  1
  Si  Si3  4  0.1701  0.6201  0.2491  1
  Pd  Pd4  2  0.5000  0.0000  0.5000  1
]