data_[Nd4Ga36Pd8]
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 [I4_1/amd]
_cell_length_a [11.5104]
_cell_length_b [11.5104]
_cell_length_c [6.6491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [NdGa9Pd2]
_chemical_formula_sum '[Nd4 Ga36 Pd8]'
_cell_volume [880.9477]
_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  0.0000  0.5000  1
  Ga  Ga1  32  0.1197  0.1890  0.7954  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  Pd  Pd3  8  0.0000  0.2500  0.1250  1
]