data_[Nd2Pt24]
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 [I4/mmm]
_cell_length_a [9.0919]
_cell_length_b [9.0919]
_cell_length_c [5.4346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [NdPt12]
_chemical_formula_sum '[Nd2 Pt24]'
_cell_volume [449.2453]
_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  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  8  0.0000  0.2171  0.5000  1.0
  Pt  Pt2  8  0.0000  0.3464  0.0000  1.0
  Pt  Pt3  8  0.2500  0.2500  0.2500  1.0
]