data_[Nd16Co4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5748]
_cell_length_b [12.3187]
_cell_length_c [6.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4CoPd]
_chemical_formula_sum '[Nd16 Co4 Pd4]'
_cell_volume [655.1855]
_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
[
  Nd  Nd0  8  0.1008  0.1657  0.0271  1
  Nd  Nd1  8  0.1905  0.4182  0.4306  1
  Co  Co2  4  0.0000  0.0013  0.2500  1
  Pd  Pd3  4  0.0000  0.3731  0.7500  1
]