data_[Nd8Ga12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2670]
_cell_length_b [25.3771]
_cell_length_c [6.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2Ga3Pd5]
_chemical_formula_sum '[Nd8 Ga12 Pd20]'
_cell_volume [743.3938]
_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  4  0.0000  0.1752  0.2637  1
  Nd  Nd1  4  0.0000  0.4743  0.2289  1
  Ga  Ga2  4  0.0000  0.0460  0.4167  1
  Ga  Ga3  4  0.0000  0.2182  0.8150  1
  Ga  Ga4  4  0.0000  0.3718  0.4478  1
  Pd  Pd5  4  0.0000  0.0592  0.0428  1
  Pd  Pd6  4  0.0000  0.1198  0.6872  1
  Pd  Pd7  4  0.0000  0.2721  0.5114  1
  Pd  Pd8  4  0.0000  0.3038  0.0936  1
  Pd  Pd9  4  0.0000  0.4025  0.8579  1
]