data_[Nd20Pt12]
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
]
_symmetry_space_group_name_H-M [P4/ncc]
_cell_length_a [11.3987]
_cell_length_b [11.3987]
_cell_length_c [6.6797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [130]
_chemical_formula_structural [Nd5Pt3]
_chemical_formula_sum '[Nd20 Pt12]'
_cell_volume [867.8940]
_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  16  0.0909  0.2932  0.1221  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.1539  0.1539  0.7500  1
  Pt  Pt3  4  0.0000  0.5000  0.3836  1
]