data_[Nd4Ga8Pd12]
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 [Cmcm]
_cell_length_a [9.7916]
_cell_length_b [8.4012]
_cell_length_c [5.4750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdGa2Pd3]
_chemical_formula_sum '[Nd4 Ga8 Pd12]'
_cell_volume [450.3825]
_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  0.3169  0.2500  1.0
  Ga  Ga1  8  0.2240  0.0000  0.0000  1.0
  Pd  Pd2  8  0.1702  0.2830  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0294  0.7500  1.0
]