data_[Nd12Pd2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9831]
_cell_length_b [4.1883]
_cell_length_c [9.9166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6PdRh2]
_chemical_formula_sum '[Nd12 Pd2 Rh4]'
_cell_volume [538.5561]
_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  0.0772  0.0000  0.8236  1.0
  Nd  Nd1  4  0.1475  0.5000  0.1510  1.0
  Nd  Nd2  4  0.1546  0.5000  0.5600  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.2250  0.5000  0.8832  1.0
]