data_[Nd4Si4Pd6]
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 [C2/m]
_cell_length_a [10.6370]
_cell_length_b [3.9875]
_cell_length_c [7.1057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Si2Pd3]
_chemical_formula_sum '[Nd4 Si4 Pd6]'
_cell_volume [273.2860]
_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  0.1338  0.0000  0.7711  1.0
  Si  Si1  4  0.1500  0.0000  0.2244  1.0
  Pd  Pd2  4  0.1346  0.5000  0.4319  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
]