data_[Nd12Ga6Pd2]
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 [Pnnm]
_cell_length_a [9.0452]
_cell_length_b [11.9011]
_cell_length_c [5.1907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Nd6Ga3Pd]
_chemical_formula_sum '[Nd12 Ga6 Pd2]'
_cell_volume [558.7674]
_cell_formula_units_Z [2]
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  0.0001  0.2484  0.0000  1.0
  Nd  Nd1  4  0.1676  0.5821  0.5000  1.0
  Nd  Nd2  4  0.1686  0.9139  0.5000  1.0
  Ga  Ga3  4  0.1676  0.2689  0.5000  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]