data_[Nd16Pt4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8858]
_cell_length_b [5.1007]
_cell_length_c [7.0176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Pt2Rh]
_chemical_formula_sum '[Nd16 Pt4 Rh2]'
_cell_volume [633.1133]
_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  0.0326  0.0000  0.7788  1.0
  Nd  Nd1  4  0.0883  0.5000  0.4431  1.0
  Nd  Nd2  4  0.1624  0.5000  0.9681  1.0
  Nd  Nd3  4  0.2043  0.0000  0.3349  1.0
  Pt  Pt4  4  0.2012  0.0000  0.7421  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]