data_[Nd20Pt8]
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 [C2/c]
_cell_length_a [17.1827]
_cell_length_b [6.7740]
_cell_length_c [7.2649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Pt2]
_chemical_formula_sum '[Nd20 Pt8]'
_cell_volume [839.5492]
_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  8  0.0939  0.1074  0.9276  1.0
  Nd  Nd1  8  0.2193  0.4315  0.3131  1.0
  Nd  Nd2  4  0.0000  0.4322  0.2500  1.0
  Pt  Pt3  8  0.1113  0.3005  0.5743  1.0
]