data_[Nd12Zn8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2261]
_cell_length_b [11.6819]
_cell_length_c [14.5443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Zn2Pd3]
_chemical_formula_sum '[Nd12 Zn8 Pd12]'
_cell_volume [718.0336]
_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  0.0000  0.0810  0.6071  1.0
  Nd  Nd1  4  0.0000  0.3517  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2199  0.0875  1.0
  Pd  Pd3  8  0.0000  0.3942  0.5448  1.0
  Pd  Pd4  4  0.0000  0.3400  0.2500  1.0
]